Re: [gmx-users] Re: Energy minimization has stopped....

On 11/5/13 7:19 AM, Kalyanashis wrote: I have given my .mdp file, ; title = trp_drg warning = 10 cpp = /usr/bin/cpp define = -DPOSRES constraints = all-bonds integrator = md dt = 0.002 ; ps ! nsteps

[gmx-users] Re: Energy minimization has stopped....

I have given my .mdp file, ; title = trp_drg warning = 10 cpp = /usr/bin/cpp define = -DPOSRES constraints = all-bonds integrator = md dt = 0.002 ; ps ! nsteps = 100 ; total 2000.0 ps. ns