[gmx-users] Getting pdb structure
erik.marklund at chem.ox.ac.uk
Fri Mar 25 15:06:58 CET 2016
gmx trjconv -f your.xc -s your.pr -o snapshot_at_8000.pdb -dump 8000
> On 25 Mar 2016, at 13:30, Amali Guruge <amaligg2010 at gmail.com> wrote:
> Dear All,
> I want to get the pdb structure of the system in 8000 ps time. The whole
> simulation contains 20000 ps. How can I get the pdb structure of the system
> at that time?
> Can anyone help me?
> Thank you.
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