[gmx-users] Getting pdb structure

[Erik Marklund]

> On 25 Mar 2016, at 14:06, Erik Marklund <erik.marklund at chem.ox.ac.uk> wrote:
> 
> gmx trjconv -f your.xc -s your.pr -o snapshot_at_8000.pdb -dump 8000
> 

That should have been “-f your.xtc -s your.tpr”. I apologise on behalf of autocorrect.

>> 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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