[gmx-users] Question regarding the minimization of the system
mark.j.abraham at gmail.com
Sun Feb 19 19:53:17 CET 2017
It's likely unnecessary, but I can't prove it :-) if grompp and mdrun
didn't complain, go be happy.
On Sun, 19 Feb 2017 19:04 <ali.khourshaei71 at student.sharif.edu> wrote:
> Dear Mark,
> Thanks for your response. So, do you mean in the code I've attached
> using trjconv is redundant? I mean as the writer of the draft used pbc =
> xyz in the mdp file, using trjconv before that stage don't work?
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