Re: [gmx-users] Re: invacuo minimization

[EMAIL PROTECTED] wrote: Hi David, I have checked the mdout.mdp and as you said it has pbc = xyz. What do I do now. I havent run editconf, but why it is taking pbc conditions? How do I remove these?? pbc=no thanks Anwar -- Mohd Anwaruddin Project Assistant C/o DR.H.A.Na

[gmx-users] Re: invacuo minimization

Hi David, I have checked the mdout.mdp and as you said it has pbc = xyz. What do I do now. I havent run editconf, but why it is taking pbc conditions? How do I remove these?? thanks Anwar -- Mohd Anwaruddin Project Assistant C/o DR.H.A.Nagarajaram Lab of Computational Biolog