Re: [gmx-users] query respect to perl distances.pl

2013-05-11 Thread Justin Lemkul
On 5/11/13 12:38 AM, Arunima Shilpi wrote: Respected Sir Presently my work includes umbrella sampling for protein ligand interaction. The components of md_pull.mdp is title = Umbrella pulling simulation define = -DPOSRES_B ; Run parameters integrator = md dt = 0.002 tinit

[gmx-users] query respect to perl distances.pl

2013-05-10 Thread Arunima Shilpi
Respected Sir Presently my work includes umbrella sampling for protein ligand interaction. The components of md_pull.mdp is title = Umbrella pulling simulation define = -DPOSRES_B ; Run parameters integrator = md dt = 0.002 tinit = 0 nsteps = 25; 500 ps nst