Re: [gmx-users] contact residues

- Original Message - From: pawan raghav pwnr...@gmail.com Date: Friday, August 27, 2010 17:22 Subject: [gmx-users] contact residues To: gmx-users@gromacs.org I have used g_mdmat g_mdmat -f traj.xtc -s md.tpr -mean dm.xpm -frames dmf.xpm -no num.xvg I got dm.xpm graph which shows

[gmx-users] contact residues

I have used g_mdmat g_mdmat -f traj.xtc -s md.tpr -mean dm.xpm -frames dmf.xpm -no num.xvg I got dm.xpm graph which shows mean of whole simulation residue contacts. How to get information about the particular residue are in contact? how to get list of contact residues? In graph file num.xvg

[gmx-users] contact map

Hi gromacs users after simulation of protein-ligand, in analysis section, how to obtain contact map for protein-ligand? thanks in advance. -- atila -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at

Re: [gmx-users] contact map

atila petrosian wrote: Hi gromacs users after simulation of protein-ligand, in analysis section, how to obtain contact map for protein-ligand? Try g_mdmat. -Justin thanks in advance. -- atila -- Justin A. Lemkul Ph.D. Candidate ICTAS

[gmx-users] contact

Dear freinds I want to analyz the formed contact in during the MD.How can i do with gromacs? best regard __ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com

Re: [gmx-users] contact

mahbubeh zarrabi wrote: Dear freinds I want to analyz the formed contact in during the MD.How can i do with gromacs? Read section 7.4 of the manual. Mark ___ gmx-users mailing listgmx-users@gromacs.org

[gmx-users] contact

Dear gromacs users How can i calculate the number of contacts during the MD trajectory in complex(protein-protein)? best regard __ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com