[gmx-users] do_dssp
Hi Gromacs users, I did my simulations using an older version of GROMACS (ie 4.5.7) and after reading through various posts, it seems I have to do the dssp analysis using a newer version. Can I use the trajectories I got from the previous older version of GROMACS to perform dssp analysis on Gromacs 5.0.5? Thanks Tom -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] do_dssp
Thanks Mark. On Fri, May 22, 2015 at 3:17 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Yes On Fri, May 22, 2015 at 2:59 PM MUSYOKA THOMMAS mutemibiochemis...@gmail.com wrote: Hi Gromacs users, I did my simulations using an older version of GROMACS (ie 4.5.7) and after reading through various posts, it seems I have to do the dssp analysis using a newer version. Can I use the trajectories I got from the previous older version of GROMACS to perform dssp analysis on Gromacs 5.0.5? Thanks Tom -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. *To all the people you can,As long as ever you can. - John Wesley. * -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Gromacs feature and usage survey
Hey Mark, In ref to part 3 of the survey, I am surprised that it does not capture Africa. On Tue, Aug 26, 2014 at 1:39 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Dear Gromacs users/developers, Gromacs developers Profs. Michael Shirts and Peter Kasson at the University of Virginia are conducting a survey on Gromacs usage and to gauge interest in potential additional features to Gromacs. The survey can be found at: https://www.surveymonkey.com/s/BD63LRP Survey participants submitted by 11:59 p.m. GMT on Tuesday, September 2nd, will be eligible for a random drawing of two $50 Amazon gift certificates (one response per person, excluding participants in any location where such a drawing runs afoul of any local law, and those in the Shirts and Kasson labs, Amazon country site of your choice). Thanks! Mark Abraham Gromacs development manager -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Gromacs feature and usage survey
Can't do it manually, and can't proceed to the next section. On Tue, Aug 26, 2014 at 2:29 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Oops, sorry about that! We'll add that manually. Anybody else? Mark On Tue, Aug 26, 2014 at 2:24 PM, MUSYOKA THOMMAS mutemibiochemis...@gmail.com wrote: Hey Mark, In ref to part 3 of the survey, I am surprised that it does not capture Africa. On Tue, Aug 26, 2014 at 1:39 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Dear Gromacs users/developers, Gromacs developers Profs. Michael Shirts and Peter Kasson at the University of Virginia are conducting a survey on Gromacs usage and to gauge interest in potential additional features to Gromacs. The survey can be found at: https://www.surveymonkey.com/s/BD63LRP Survey participants submitted by 11:59 p.m. GMT on Tuesday, September 2nd, will be eligible for a random drawing of two $50 Amazon gift certificates (one response per person, excluding participants in any location where such a drawing runs afoul of any local law, and those in the Shirts and Kasson labs, Amazon country site of your choice). Thanks! Mark Abraham Gromacs development manager -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Gromacs feature and usage survey
Thank you Prof. Michael On Tue, Aug 26, 2014 at 3:11 PM, Michael Shirts mrshi...@gmail.com wrote: Survey is now with 100% more African representation! Thanks for catching that smaller but important category. I'm not sure it's possible to edit old entries, but it's there for the rest of the week. On Tue, Aug 26, 2014 at 8:24 AM, MUSYOKA THOMMAS mutemibiochemis...@gmail.com wrote: Hey Mark, In ref to part 3 of the survey, I am surprised that it does not capture Africa. On Tue, Aug 26, 2014 at 1:39 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Dear Gromacs users/developers, Gromacs developers Profs. Michael Shirts and Peter Kasson at the University of Virginia are conducting a survey on Gromacs usage and to gauge interest in potential additional features to Gromacs. The survey can be found at: https://www.surveymonkey.com/s/BD63LRP Survey participants submitted by 11:59 p.m. GMT on Tuesday, September 2nd, will be eligible for a random drawing of two $50 Amazon gift certificates (one response per person, excluding participants in any location where such a drawing runs afoul of any local law, and those in the Shirts and Kasson labs, Amazon country site of your choice). Thanks! Mark Abraham Gromacs development manager -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Time evolution of distance of Hydrogen bond
Dear Users, I am working on protein-ligand MD simulation. I have managed to get the number of H-bonds formed between the protein and ligand throughout my simulation period. I noticed three important residue participate in the formation of this H-bonding network. I need to determine the *time evolution* of the specific H-bond *distance* throughout my simulation. How do I go about this? -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] need you help - New user
Try using the following command mdrun -v -deffnm nvt On Mon, Jun 2, 2014 at 11:23 AM, Urszula Uciechowska urszula.uciechow...@biotech.ug.edu.pl wrote: Dear Gromacs users, I am having problem running NVT calculation, when is finished I do not see the *.gro file among the out file. I do not know what the problem can be. I am not getting any error. The command that I used: mdrun -s input_nvt.tpr -deffnm nvt -v in .Log file I have R E A L C Y C L E A N D T I M E A C C O U N T I N G Computing: Nodes Number G-CyclesSeconds % --- Domain decomp. 6770 1779.164 785.2 5.5 DD comm. load 6769 10.5824.7 0.0 DD comm. bounds6769 11.2465.0 0.0 Send X to PME 6770 37.780 16.7 0.1 Comm. coord. 6770 71.593 31.6 0.2 Neighbor search6770 5301.193 2339.716.5 Force 6770 5327.504 2351.316.6 Wait + Comm. F 6770 1984.758 876.0 6.2 PME mesh 6770 5970.668 2635.118.6 Wait + Comm. X/F 6 10102.647 4458.831.4 Wait + Recv. PME F 6770 36.705 16.2 0.1 Write traj.6 10 21.6449.6 0.1 Update 6770 205.313 90.6 0.6 Constraints6770 778.976 343.8 2.4 Comm. energies 6771 301.011 132.9 0.9 Rest 6 208.397 92.0 0.6 --- Total 12 32149.18014189.0 100.0 --- --- PME redist. X/F6 1540 565.866 249.7 1.8 PME spread/gather 6 1540 2972.849 1312.1 9.2 PME 3D-FFT 6 1540 1841.695 812.8 5.7 PME solve 6770 590.096 260.4 1.8 --- Parallel run - timing based on wallclock. NODE (s) Real (s) (%) Time: 1182.415 1182.415100.0 19:42 (Mnbf/s) (GFlops) (ns/day) (hour/ns) Performance:129.307 11.117 0.113213.278 Finished mdrun on node 0 Mon Jun 2 11:00:09 2014 (END) Thank you for your help. Urszula Uciechowska - Ta wiadomość została wysłana z serwera Uniwersytetu Gdańskiego http://www.ug.edu.pl/ -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Ligand RMSD greater than Protein C alpha RMSD
Dear Users, I am doing protein-ligand MD simulations and came across rather unusual result where the Ligand's RMSD is greater than that of the C alpha backbone of the protein in which it is docked into. Does this happen under usual circumstances? -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Write a pdb file after every ns of simulation
Dear Users, I want to write a pdb file after each ns of my 10 ns protein-ligand trajectory Which command do I use? Thank you -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Write a pdb file after every ns of simulation
Hi Tsjerk, Hi, just noticed, I used the wrong group. Up and running now. Thanks On Wed, Apr 30, 2014 at 11:56 AM, Tsjerk Wassenaar tsje...@gmail.comwrote: What am I missing? The ligand! (Oh, I just couldn't resist! Sorry about that.) Either your xtc-groups weren't set correctly or your index group does not include the ligand. I hope for you it's the latter. Cheers, Tsjerk -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- *MUSYOKA THOMMAS MUTEMIMob nos **+27844846540* *B.Sc Biochemistry (Kenyatta University), MSc Pharmaceutical Science (Nagasaki University)* *PhD Student - Research Unit in Bioinformatics (RUBi - Rhodes University)*Skype ID- MUSYOKA THOMMAS MUTEMI Alternative email - thom...@sia.co.ke *Do all the good you can, By all the means you can, In all the ways you can, In all the places you can,At all the times you can,To all the people you can,As long as ever you can. - John Wesley. * -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Ligand observables in a protein-ligand simulation
Dear Users, How can one determine a ligand's rmsd, its radius of gyration, and its SASA during a protein-ligand simulation? Thank you -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Ligand observables in a protein-ligand simulation
I am trying to create an index file just as I did for the protein but am lost when it comes to the following options Keep 13 (this is ok as it is the ligand group number) a - Not sure since after trying CA or C i ended up getting the number of atoms in the protein name 13 Calpha (Not sure) q What options should I use for a and name 13 prompts? Thank you On Tue, Apr 15, 2014 at 12:12 PM, Mark Abraham mark.j.abra...@gmail.comwrote: The same way you'd do it for a protein, but with a suitable group. Mark On Apr 15, 2014 11:55 AM, MUSYOKA THOMMAS mutemibiochemis...@gmail.com wrote: Dear Users, How can one determine a ligand's rmsd, its radius of gyration, and its SASA during a protein-ligand simulation? Thank you -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Determining interactions in Protein-Ligand complex simulations
Dear users, I am doing a 10 ns protein-ligand simulation and would like to determine the hydrogen and hydrophobic interactions per each ns and the participating amino acid residues. How do I go about this? Thank you. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Protein-Ligand MS simulation
Hello. I have a protein pdb and the best pose of a ligand obtained through docking using auto dock. However, when I combine the ligand and protein using the discovery studio, some residues like Lysine in the protein pdb gets protonated as well as the N-terminal residue. Is this unusual and can it affect the MD end results? -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Out of Disk Space
Hi Pavan, When you use the grompp command to prepare the md.tpr file for the final mdrun, do you notice such a statement This run will generate roughly X Mb of data. I suspect the resultant trajectory could be exceeding the available space. On Tue, Mar 4, 2014 at 4:12 PM, Pavan Kumar kumar.pavan...@gmail.comwrote: Hi everybody, I am running mdrun_mpi V 4.6.5 for nsteps=1000; 20 ns My simulation is getting stopped at 500ps and I am getting following error even though i have enough space on my cluster around 17 GB. *Cannot fsync 'md1.trr'; maybe you are out of disk space?* *Cannot fsync 'md1.log'; maybe you are out of disk space?* I have executed for two times, each time i get different error. What is the reason for the above error. I am sharing my mdp file. Any help is appreciated. -- Thanks Regards, Pavan Kumar Project Engineer CDAC -KP Ph +91-7676367646 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] MD SIMULATIONS ON A CLUSTER
Dear Users, I have been doing 10 ns MD simulations of protein-ligand complexes on a local cluster of 64 cores using GROMACS 4.5.7. However, there seems to be no much difference in the time it takes to complete one cycle of an mdrun (3-days - same as when I used a machine with 4 cores). Will be appreciative to know if its possible shorten the time period. See the following command that I have incorporated in a python script so as to automate the md process right from the beginning. md=md.mdp os.system(mdscriptcopy) finalmdruncommand=grompp -f %s -c %s -t %s -p %s -n %s -o %s% (md,nptgro,nvtcpt,topoltop,indexfile,mdtpr) os.system(finalmdruncommand) *finalrun=mdrun -v -deffnm md* os.system(finalrun) *Do all the good you can, By all the means you can, In all the ways you can, In all the places you can,At all the times you can,To all the people you can,As long as ever you can. - John Wesley. * -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Using several cores for MD production
Dear Users, I am using a cluster of 64 cores to perform my MD simulations using GROMACS version 4.5.5. I would be glad to know the exact mdrun command that will allow me use the available resources. Thank you. *Do all the good you can, By all the means you can, In all the ways you can, In all the places you can,At all the times you can,To all the people you can,As long as ever you can. - John Wesley. * -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Using several cores for MD production
Dear Justin, Well it seems i am the first one to do MD simulations in my lab and i am using a chemistry department cluster and nobody has prior knowledge on GROMACS. I can use all the cores in the cluster but need to know if there is a specific mdrun command that can allow me specify the number of cores to be used for the MD run. Thank you On Tue, Dec 3, 2013 at 5:37 PM, Justin Lemkul jalem...@vt.edu wrote: On 12/3/13 10:23 AM, MUSYOKA THOMMAS wrote: Dear Users, I am using a cluster of 64 cores to perform my MD simulations using GROMACS version 4.5.5. I would be glad to know the exact mdrun command that will allow me use the available resources. The answer depends entirely on the architecture of the cluster. Your sys admin should know. -Justin -- == Justin A. Lemkul, Ph.D. Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 == -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/ Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- *MUSYOKA THOMMAS MUTEMIMob nos **+27844846540* *B.Sc Biochemistry (Kenyatta University), MSc Pharmaceutical Science (Nagasaki University)* *PhD Student - Research Unit in Bioinformatics (RUBi - Rhodes University)*Skype ID- MUSYOKA THOMMAS MUTEMI Alternative email - thom...@sia.co.ke *Do all the good you can, By all the means you can, In all the ways you can, In all the places you can,At all the times you can,To all the people you can,As long as ever you can. - John Wesley. * -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
