[gmx-users] Randomly alter pdb start coordinates

There is mentioned that for re-running an MD run for better statistics, it can be good to change starting coordinates, besides the seed, is there a gmx command which is used for randomly change starting coordinates of a pdb file? I need such a command or script for a PBS script which automatica

Re: [gmx-users] Randomly alter pdb start coordinates

Hi, On Tue, Aug 25, 2015 at 5:08 AM PER HENRY ANDREAS WITTLER < 17526...@students.latrobe.edu.au> wrote: > There is mentioned that for re-running an MD run for better statistics, it > can be good to change starting coordinates, besides the seed, is there a > gmx command which is used for randomly