Re: [gmx-users] minimization and simulation problems

Quoting pol...@fh.huji.ac.il: Dear gromacs users, my box dimensions are 368A and when I run the simulation with nsteps=1 it works fine. The mdp files used for minimization and post-em simulation are attached. Thanks again for your help. Regina Quoting chris.ne...@utoronto.ca: What are you

Re: [gmx-users] minimization and simulation problems

my box dimensions are 368A Quoting chris.ne...@utoronto.ca: What are your initial box dimensions prior to em? Also, please copy and paste your .mdp options. Also, what happens when you run the same post-em simulation with nsteps=1 ? -- original message -- Dear all, I'm trying to run sim