Dear friends, I want to add a phosphate (PO4) group to a amino acid residue (serine) in my protein molecule (phosphorylation of protein). Is is possible to do by in-silico (with help of Gromcs or by any other server)? Please help me in this.
Thank you :) Rohan On Wed, May 19, 2010 at 7:32 PM, <gmx-users-requ...@gromacs.org> wrote: > > Send gmx-users mailing list submissions to > gmx-us...@gromacs.org > > To subscribe or unsubscribe via the World Wide Web, visit > http://lists.gromacs.org/mailman/listinfo/gmx-users > or, via email, send a message with subject or body 'help' to > gmx-users-requ...@gromacs.org > > You can reach the person managing the list at > gmx-users-ow...@gromacs.org > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of gmx-users digest..." > > > Today's Topics: > > 1. Re: enegry minimisation (Justin A. Lemkul) > 2. g_cluster, RMSD distribution (Micha? Koli?ski) > 3. Re: enegry minimisation (Gaurav Goel) > 4. Re: Re: crystallographic water to tip4p model (????? ?????????) > 5. Re: enegry minimisation (sonali dhindwal) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 19 May 2010 09:18:08 -0400 > From: "Justin A. Lemkul" <jalem...@vt.edu> > Subject: Re: [gmx-users] enegry minimisation > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: <4bf3e510.3040...@vt.edu> > Content-Type: text/plain; charset=windows-1252; format=flowed > > > > Gaurav Goel wrote: > > After adding water you can do energy minimization (EM) in two steps: > > > > 1. Constrain the protein backbone and do EM. > > 2. Now do EM on the full system. > > 3. Run a short MD simulation by constraining the protein backbone. > > The above three steps will help hydrate the protein molecule with > > minimal distortion of protein structure. > > > > Such finesse may certainly be beneficial. Just for clarity, though, what you > are referring to is the application of (position) restraints, not constraints. > > http://www.gromacs.org/Documentation/Terminology/Constraints_and_Restraints > > -Justin > > > 4. Now run a MD on full system. > > > > for details looks here: > > http://www.google.com/url?sa=t&source=web&ct=res&cd=2&ved=0CBcQFjAB&url=http%3A%2F%2Feugen.leitl.org%2Fchem%2Fkerrigje%2Fpdf_files%2Ffwspidr_tutor.pdf&ei=jOPzS8a3Lab2MdX1_aAO&usg=AFQjCNGB_3mXSQRHuqehBSHXsRyXP1Gymg&sig2=bY3NqXHmruR7eSLVyAuCHQ > > <http://www.google.com/url?sa=t&source=web&ct=res&cd=2&ved=0CBcQFjAB&url=http%3A%2F%2Feugen.leitl.org%2Fchem%2Fkerrigje%2Fpdf_files%2Ffwspidr_tutor.pdf&ei=jOPzS8a3Lab2MdX1_aAO&usg=AFQjCNGB_3mXSQRHuqehBSHXsRyXP1Gymg&sig2=bY3NqXHmruR7eSLVyAuCHQ> > > > > -Gaurav > > > > On Wed, May 19, 2010 at 8:18 AM, sonali dhindwal > > <sonali11dhind...@yahoo.co.in <mailto:sonali11dhind...@yahoo.co.in>> wrote: > > > > Sorry, but I couldnt get your question, > > I have used this .mdp file for energy minimisation after addition of > > water and using > > > > GROMOS96 43a1 force field : > > > > > > title = drg_trp > > cpp = /lib/cpp ; location of cpp on SGI > > define = -DFLEX_SPC ; Use Ferguson’s Flexible water model [4] > > constraints = none > > integrator = steep > > dt = 0.002 ; ps ! > > nsteps = 2000 > > nstlist = 10 > > ns_type = grid > > rlist = 0.9 > > coulombtype = PME ; Use particle-mesh ewald > > rcoulomb = 0.9 > > rvdw = 1.0 > > fourierspacing = 0.12 > > fourier_nx = 0 > > fourier_ny = 0 > > fourier_nz = 0 > > pme_order = 4 > > ewald_rtol = 1e-5 > > optimize_fft = yes > > ; > > ; Energy minimizing stuff > > ; > > emtol = 1000.0 > > emstep = 0.01 > > > > I hope it will help you to guide me further > > Thanks > > -- > > Sonali Dhindwal > > > > > > --- On *Wed, 19/5/10, Erik Marklund /<er...@xray.bmc.uu.se > > <mailto:er...@xray.bmc.uu.se>>/* wrote: > > > > > > From: Erik Marklund <er...@xray.bmc.uu.se > > <mailto:er...@xray.bmc.uu.se>> > > Subject: Re: [gmx-users] enegry minimisation > > To: "Discussion list for GROMACS users" <gmx-users@gromacs.org > > <mailto:gmx-users@gromacs.org>> > > Date: Wednesday, 19 May, 2010, 5:31 PM > > > > > > sonali dhindwal skrev: > > > Hello All > > > This question may sound trivial to many, but as i am new to > > this field, please help. > > > I want to ask a question regarding my previous query of > > distortion of protein strucutre after molecular dynamcs simulation. > > > I have noticed that after enegry minimisation using steepest > > decent algorithm, using emtol of 1000 kJ mol^-1 nm^-1 , large > > amount of distortion occurs. > > > So is it necessary to do enegry minimisation step before MD, > > because this is my modeled protein, and i have already done > > energy minimisation using different program and after that I > > have done refinement also. > > > Thanks and regards > > > ^ > > > > > > > > > -- > > > Sonali Dhindwal > > > > > > > > So how has your system setup changed since your previous EM? > > Addition of water? Cutoffs? PME? > > > > -- ----------------------------------------------- > > Erik Marklund, PhD student > > Dept. of Cell and Molecular Biology, Uppsala University. > > Husargatan 3, Box 596, 75124 Uppsala, Sweden > > phone: +46 18 471 4537 fax: +46 18 511 755 > > er...@xray.bmc.uu.se > > <http://mc/compose?to=er...@xray.bmc.uu.se> > > http://folding.bmc.uu.se/ > > > > -- gmx-users mailing list gmx-us...@gromacs.org > > <http://mc/compose?to=gmx-us...@gromacs.org> > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/search > > before posting! > > Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org > > <http://mc/compose?to=gmx-users-requ...@gromacs.org>. > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > > > > > > -- > > gmx-users mailing list gmx-us...@gromacs.org > > <mailto:gmx-users@gromacs.org> > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/search before > > posting! > > Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org > > <mailto:gmx-users-requ...@gromacs.org>. > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > > > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > > > ------------------------------ > > Message: 2 > Date: Wed, 19 May 2010 15:14:50 +0200 > From: Micha? Koli?ski <mko...@iimcb.gov.pl> > Subject: [gmx-users] g_cluster, RMSD distribution > To: "gmx-users@gromacs.org" <gmx-users@gromacs.org> > Message-ID: > <7d0446725b1683488608097329d0ffb90137daecd...@kolab.iimcb.gov.pl> > Content-Type: text/plain; charset="windows-1250" > > Dear All > > I’m trying to obtain RMSD distribution of a ligand in the binding site of > the receptor protein during 40 ns MD simulation. > Could you please explain: > > - what is exactly the yaxis unit of the plot obtained using g_cluster with > –dist option > - how is this distribution calculated? > > Thank you in advance, > > All best, > Michal > > > ------------------------------ > > Message: 3 > Date: Wed, 19 May 2010 09:29:33 -0400 > From: Gaurav Goel <gauravgoel...@gmail.com> > Subject: Re: [gmx-users] enegry minimisation > To: jalem...@vt.edu, Discussion list for GROMACS users > <gmx-users@gromacs.org> > Message-ID: > <aanlktikgpakyh20mmpg40xv6fh6wciirevleh037g...@mail.gmail.com> > Content-Type: text/plain; charset=windows-1252 > > On Wed, May 19, 2010 at 9:18 AM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > > > > Gaurav Goel wrote: > >> > >> After adding water you can do energy minimization (EM) in two steps: > >> > >> 1. Constrain the protein backbone and do EM. > >> 2. Now do EM on the full system. > >> 3. Run a short MD simulation by constraining the protein backbone. > >> The above three steps will help hydrate the protein molecule with minimal > >> distortion of protein structure. > >> > > > > Such finesse may certainly be beneficial. Just for clarity, though, what > > you are referring to is the application of (position) restraints, not > > constraints. > > > > http://www.gromacs.org/Documentation/Terminology/Constraints_and_Restraints > > > Justin, thanks for clarifying. I was referring to position restraints. > -Gaurav > > -Justin > > > >> 4. Now run a MD on full system. > >> > >> for details looks here: > >> > >> http://www.google.com/url?sa=t&source=web&ct=res&cd=2&ved=0CBcQFjAB&url=http%3A%2F%2Feugen.leitl.org%2Fchem%2Fkerrigje%2Fpdf_files%2Ffwspidr_tutor.pdf&ei=jOPzS8a3Lab2MdX1_aAO&usg=AFQjCNGB_3mXSQRHuqehBSHXsRyXP1Gymg&sig2=bY3NqXHmruR7eSLVyAuCHQ > >> <http://www.google.com/url?sa=t&source=web&ct=res&cd=2&ved=0CBcQFjAB&url=http%3A%2F%2Feugen.leitl.org%2Fchem%2Fkerrigje%2Fpdf_files%2Ffwspidr_tutor.pdf&ei=jOPzS8a3Lab2MdX1_aAO&usg=AFQjCNGB_3mXSQRHuqehBSHXsRyXP1Gymg&sig2=bY3NqXHmruR7eSLVyAuCHQ> > >> > >> -Gaurav > >> > >> On Wed, May 19, 2010 at 8:18 AM, sonali dhindwal > >> <sonali11dhind...@yahoo.co.in <mailto:sonali11dhind...@yahoo.co.in>> wrote: > >> > >> Sorry, but I couldnt get your question, > >> I have used this .mdp file for energy minimisation after addition of > >> water and using > >> > >> GROMOS96 43a1 force field : > >> > >> > >> title = drg_trp > >> cpp = /lib/cpp ; location of cpp on SGI > >> define = -DFLEX_SPC ; Use Ferguson’s Flexible water model [4] > >> constraints = none > >> integrator = steep > >> dt = 0.002 ; ps ! > >> nsteps = 2000 > >> nstlist = 10 > >> ns_type = grid > >> rlist = 0.9 > >> coulombtype = PME ; Use particle-mesh ewald > >> rcoulomb = 0.9 > >> rvdw = 1.0 > >> fourierspacing = 0.12 > >> fourier_nx = 0 > >> fourier_ny = 0 > >> fourier_nz = 0 > >> pme_order = 4 > >> ewald_rtol = 1e-5 > >> optimize_fft = yes > >> ; > >> ; Energy minimizing stuff > >> ; > >> emtol = 1000.0 > >> emstep = 0.01 > >> > >> I hope it will help you to guide me further > >> Thanks > >> -- > >> Sonali Dhindwal > >> > >> > >> --- On *Wed, 19/5/10, Erik Marklund /<er...@xray.bmc.uu.se > >> <mailto:er...@xray.bmc.uu.se>>/* wrote: > >> > >> > >> From: Erik Marklund <er...@xray.bmc.uu.se > >> <mailto:er...@xray.bmc.uu.se>> > >> Subject: Re: [gmx-users] enegry minimisation > >> To: "Discussion list for GROMACS users" <gmx-users@gromacs.org > >> <mailto:gmx-users@gromacs.org>> > >> Date: Wednesday, 19 May, 2010, 5:31 PM > >> > >> > >> sonali dhindwal skrev: > >> > Hello All > >> > This question may sound trivial to many, but as i am new to > >> this field, please help. > >> > I want to ask a question regarding my previous query of > >> distortion of protein strucutre after molecular dynamcs simulation. > >> > I have noticed that after enegry minimisation using steepest > >> decent algorithm, using emtol of 1000 kJ mol^-1 nm^-1 , large > >> amount of distortion occurs. > >> > So is it necessary to do enegry minimisation step before MD, > >> because this is my modeled protein, and i have already done > >> energy minimisation using different program and after that I > >> have done refinement also. > >> > Thanks and regards > >> > ^ > >> > > >> > > >> > -- > >> > Sonali Dhindwal > >> > > >> > > >> So how has your system setup changed since your previous EM? > >> Addition of water? Cutoffs? PME? > >> > >> -- ----------------------------------------------- > >> Erik Marklund, PhD student > >> Dept. of Cell and Molecular Biology, Uppsala University. > >> Husargatan 3, Box 596, 75124 Uppsala, Sweden > >> phone: +46 18 471 4537 fax: +46 18 511 755 > >> er...@xray.bmc.uu.se > >> <http://mc/compose?to=er...@xray.bmc.uu.se> > >> http://folding.bmc.uu.se/ > >> > >> -- gmx-users mailing list gmx-us...@gromacs.org > >> <http://mc/compose?to=gmx-us...@gromacs.org> > >> http://lists.gromacs.org/mailman/listinfo/gmx-users > >> Please search the archive at http://www.gromacs.org/search > >> before posting! > >> Please don't post (un)subscribe requests to the list. Use the > >> www interface or send it to gmx-users-requ...@gromacs.org > >> <http://mc/compose?to=gmx-users-requ...@gromacs.org>. > >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php > >> > >> > >> > >> -- > >> gmx-users mailing list gmx-us...@gromacs.org > >> <mailto:gmx-users@gromacs.org> > >> http://lists.gromacs.org/mailman/listinfo/gmx-users > >> Please search the archive at http://www.gromacs.org/search before > >> posting! > >> Please don't post (un)subscribe requests to the list. Use the > >> www interface or send it to gmx-users-requ...@gromacs.org > >> <mailto:gmx-users-requ...@gromacs.org>. > >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php > >> > >> > > > > -- > > ======================================== > > > > Justin A. Lemkul > > Ph.D. Candidate > > ICTAS Doctoral Scholar > > MILES-IGERT Trainee > > Department of Biochemistry > > Virginia Tech > > Blacksburg, VA > > jalemkul[at]vt.edu | (540) 231-9080 > > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > > > ======================================== > > -- > > gmx-users mailing list gmx-us...@gromacs.org > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/search before posting! > > Please don't post (un)subscribe requests to the list. Use the www interface > > or send it to gmx-users-requ...@gromacs.org. > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > > > ------------------------------ > > Message: 4 > Date: Wed, 19 May 2010 17:35:46 +0400 > From: ????? ????????? <pavk...@gmail.com> > Subject: [gmx-users] Re: Re: crystallographic water to tip4p model > To: gmx-users@gromacs.org > Message-ID: > <aanlktilnxrgpkj58z2ts4dydtnkmsbovo6lv8r1mx...@mail.gmail.com> > Content-Type: text/plain; charset="windows-1252" > > >> Hi, > >> I wanna keep crystallographic water with tip4p model for md simulation > but when I use pdb2gmx even if I set "-water tip4p" it protonates oxygens to > spc water model instead. > >> Is there any way to replace spc water molecules with tip4p water > molecules in the same orientation? > > > >What's your GROMACS version and command line? > > > >> Btw what happen if I'll keep 2 types of water models in one simulation? > > > >Your reviewers will giggle. > > > >Mark > > Hi > I’m using following lines to prepare structure > > pdb2gmx -f 1KEH.pdb -o 1keh.gro -p 1keh.top -ff oplsaa -water tip4p > editconf -f 1keh.gro -d 1 -c -bt cubic -o 1keh.box.gro > genbox -cp 1keh.box.gro -cs tip4p.gro -o 1keh.sol.gro -p 1keh.top > > after this in 1keh.sol.gro there are 2 types of water like > 1078HO4 HW112050 5.331 6.748 7.575 > 1078HO4 HW212051 5.413 6.666 7.459 > 1078HO4 HW312052 5.413 6.748 7.517 > 1079HO4 OW12053 7.630 6.590 7.095 > 1079HO4 HW112054 7.630 6.671 7.037 > 1079HO4 HW212055 7.630 6.508 7.037 > 1079HO4 HW312056 7.630 6.590 7.095 > 1080HO4 OW12057 3.861 4.563 2.433 > > and like > 1083SOL OW12069 1.736 0.839 0.257 > 1083SOL HW112070 1.777 0.781 0.322 > 1083SOL HW212071 1.643 0.831 0.274 > 1083SOL MW12072 1.730 0.831 0.267 > 1084SOL OW12073 1.602 0.771 1.252 > 1084SOL HW112074 1.557 0.838 1.303 > 1084SOL HW212075 1.690 0.807 1.238 > 1084SOL MW12076 1.608 0.784 1.256 > as I can understand pdb2gmx converted crystallographic O into H2O with > additional H in the same place as O instead of additional M near O > how can it be fixed? > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: > http://lists.gromacs.org/pipermail/gmx-users/attachments/20100519/21438e3d/attachment-0001.html > > ------------------------------ > > Message: 5 > Date: Wed, 19 May 2010 19:31:30 +0530 (IST) > From: sonali dhindwal <sonali11dhind...@yahoo.co.in> > Subject: Re: [gmx-users] enegry minimisation > To: jalem...@vt.edu, Discussion list for GROMACS users > <gmx-users@gromacs.org> > Message-ID: <930211.32980...@web94606.mail.in2.yahoo.com> > Content-Type: text/plain; charset="iso-8859-1" > > Thanks Justin for your help > I checked the mdout.mpd, all the parameters were interpereted correctly, > though from next time i will take care of putting space. > regarding you asked if those are small molecules, yes those are the ligands > and i have taken .itp and .gro file from Dundee Prodrg server. I think those > are acceptable !! > Thermostat setup: > I will now do this thing seperately as protein and non protein only as given > in manual. > > And also I will do that thing suggested by Gaurav, hopefully it will help in > not distorting the protein structure. > Thanks a lot. > > -- > Sonali Dhindwal > > --- On Wed, 19/5/10, Justin A. Lemkul <jalem...@vt.edu> wrote: > > From: Justin A. Lemkul <jalem...@vt.edu> > Subject: Re: [gmx-users] enegry minimisation > To: "Gromacs Users' List" <gmx-users@gromacs.org> > Date: Wednesday, 19 May, 2010, 5:45 PM > > > > sonali dhindwal wrote: > > Thanks Justin for your reply. > > Yes I have included solvent in the protein using genbox. > > Then you should do energy minimization after constructing the system. > > > I am pasting .mdp file which I used for MD simulation : > > > > title = trp_drg MD > > cpp = /lib/cpp ; location of cpp on SGI > > constraints = all-bonds > > integrator = md > > dt = 0.002 ; ps ! > > nsteps = 500000 ; total 1 ns. > > nstcomm =1 > > I don't know if this matters or not, but I think your parameters and values > should be separated from the '=' by whitespace. I also don't know if that > will have any effect on your unstable system (see below), but do check to > make sure that all of your settings have been interpreted correctly. Confirm > your input settings with the mdout.mdp file produced by grompp. > > > nstxout = 500 ; output coordinates every 1.0 ps > > nstvout =0 > > nstfout =0 > > nstlist = 5 > > ns_type = grid > > rlist = 0.9 > > coulombtype = PME > > rcoulomb = 0.9 > > rvdw > = 1.4 > > fourierspacing = 0.12 > > fourier_nx =0 > > fourier_ny =0 > > fourier_nz =0 > > pme_order =6 > > ewald_rtol = 1e-5 > > optimize_fft = yes > > ; Berendsen temperature coupling is on in four groups > > Tcoupl = berendsen > > tau_t = 0.1 0.1 0.1 0.1 0.1 0.1 > > tc_grps = Protein SOL MG PEP E4P NA+ > > ref_t = > 300 300 300 300 300 300 > > This thermostat setup is certainly incorrect. You should not couple all the > components of your system to separate thermostats. See here: > > http://www.gromacs.org/Documentation/Terminology/Thermostats > > You have a fairly complicated system. Are some of these species small > molecules? If so, how did you derive their parameters? Have you > demonstrated that these parameters are accurate? Which structure is falling > apart, and how are you making that assessment? > > -Justin > > > ; Pressure coupling is on > > Pcoupl = berendsen > > pcoupltype = isotropic > > tau_p > = 0.5 > > compressibility = 4.5e-5 > > ref_p = 1.0 > > ; Generate velocites is on at 300 K. > > gen_vel = yes > > gen_temp = 300.0 > > gen_seed = 173529 > > > > I hope it will help you to guide me futher. > > Thanks > > > > -- > > Sonali Dhindwal > > > > > > --- On *Wed, 19/5/10, Justin A. Lemkul /<jalem...@vt.edu>/* wrote: > > > > > > From: Justin A. Lemkul <jalem...@vt.edu> > > Subject: Re: [gmx-users] enegry minimisation > > To: "Discussion list for GROMACS users" <gmx-users@gromacs.org> > > Date: Wednesday, 19 May, 2010, 5:17 PM > > > > > > > > sonali dhindwal wrote: > > > Hello All > > > This question may sound trivial to many, but as i am new to this > > field, please help. > > > I want to ask a question regarding my previous query of > > distortion of protein strucutre after molecular dynamcs simulation. > > > > Can you provide a link to your previous post, for reference? > > > > > I have noticed that after enegry minimisation using steepest > > decent algorithm, using emtol of 1000 kJ mol^-1 nm^-1 . > > > > So is it necessary to do enegry minimisation step before MD, > > because this is my modeled protein, and i have already done energy > > minimisation using different program and after that I have done > > refinement also. > > > > Have you added solvent or anything else to the protein model? If > > so, then the answer is yes. Solvation with a regularly-ordered > > lattice of solvent molecules can (and often does) lead to bad > > clashes with your protein structure, thus necessitating further > > minimization. > > > > There are plenty of reasons why a protein structure might be > > unstable, most of them related to .mdp file settings, but > you > > haven't posted those so there's no way to know if you're doing > > things correctly. > > > > -Justin > > > > > Thanks and regards > > > ^ > > > > > > -- > > > Sonali Dhindwal > > > > > > > > > > -- ======================================== > > > > Justin A. Lemkul > > Ph.D. Candidate > > ICTAS Doctoral Scholar > > MILES-IGERT Trainee > > Department of Biochemistry > > Virginia Tech > > Blacksburg, VA > > > jalemkul[at]vt.edu | (540) 231-9080 > > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > > > ======================================== > > -- gmx-users mailing list gmx-users@gromacs.org > > </mc/compose?to=gmx-us...@gromacs.org> > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/search before > > posting! > > Please don't post (un)subscribe requests to the list. Use the www > > interface or send it to gmx-users-requ...@gromacs.org > > </mc/compose?to=gmx-users-requ...@gromacs.org>. > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > > > > -- ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia > Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > -------------- next part -------------- > An HTML attachment was scrubbed... > URL: > http://lists.gromacs.org/pipermail/gmx-users/attachments/20100519/8ee02834/attachment.html > > ------------------------------ > > -- > gmx-users mailing list > gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > > End of gmx-users Digest, Vol 73, Issue 119 > ****************************************** -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
