Re: [gmx-users] Regarding parameters for pull_groups in mdp file for the pull code

2012-07-04 Thread neeru sharma
Thanks Justin for your early response. I was confused about it, but now it's clear. Thanks --Neeru > Dear Gromacs Users, > > > I have some queries about the parameters in the .mdp file for the pull code. > > If I want to pull my ligand, towards specific atom/group of atoms from > the protein, how

Re: [gmx-users] Regarding parameters for pull_groups in mdp file for the pull code

2012-07-04 Thread Justin A. Lemkul
On 7/4/12 2:31 AM, neeru sharma wrote: Dear Gromacs Users, I have some queries about the parameters in the .mdp file for the pull code. If I want to pull my ligand, towards specific atom/group of atoms from the protein, how am I supposed to mentioned these in the mdp file? *

[gmx-users] Regarding parameters for pull_groups in mdp file for the pull code

2012-07-03 Thread neeru sharma
Dear Gromacs Users, I have some queries about the parameters in the .mdp file for the pull code. If I want to pull my ligand, towards specific atom/group of atoms from the protein, how am I supposed to mentioned these in the mdp file?