[gmx-users] Index file group selection and gmx covar error

2017-01-05 Thread Aditya Padhi
Dear Gromacs users, I am trying to evaluate entropic contributions for a protein-protein complex using the gmx covar module and then gmx anaeig. When I directly run the command "gmx covar -f prod.xtc -s prod.tpr -n index.ndx -o eigenval.xvg -v eigenval.trr -av average.pdb -l covar.log", the progra

[gmx-users] Query on GPI-anchor proteins

2015-06-16 Thread Aditya Padhi
Dear Gromacs Users, I am working on a protein, which is known to cleave few GPI-anchor proteins (Glycosylphosphatidylinisotol). Also, I know that there are several other candidate GPI-anchor proteins which may or may not be cleaved by my protein of interest. I was wondering, if there is any tool/m

Re: [gmx-users] Query regarding dssp plot

2014-05-23 Thread Aditya Padhi
Thanks a lot Justin. It worked :) On Wed, May 21, 2014 at 5:45 PM, Justin Lemkul wrote: > > > On 5/21/14, 8:13 AM, Aditya Padhi wrote: > >> Dear Justin, >> Thank you for the reply. I was using my 50 ns trajectory for >> generating the .xpm and .eps fil

Re: [gmx-users] Query regarding dssp plot

2014-05-21 Thread Aditya Padhi
files. Please suggest me. Thanking you, Regards Aditya. On Wed, May 21, 2014 at 5:32 PM, Justin Lemkul wrote: > > > On 5/21/14, 7:56 AM, Aditya Padhi wrote: > >> Dear Gromacs users, >> When I am using the DSSP program to generate the secondary >> structure c

[gmx-users] Query regarding dssp plot

2014-05-21 Thread Aditya Padhi
Dear Gromacs users, When I am using the DSSP program to generate the secondary structure changes of my protein (23 amino acids) and its mainchain, I am getting the results in the form of .eps file and using Ghostview, I visualized and saved in .jpeg format. But the figure looks blurred and