VMD-L Mailing List

From: James Lord (jjamesgreen110_at_gmail.com)
Date: Mon Nov 30 2015 - 05:27:35 CST

Hi all,

I have a .gro file from Gromacs, I have modified the position of the
protein in this .gro file after loading it into VMD and using

*pbc wrap *

now I want to save this .gro file with protein new position and use it as a
start structure to continue my simulation? I could not figure out how to do
this in VMD? any comments? I have periodic boundary condition in xyz.

Cheers,

James