[gmx-users] trjcat after trjconv
venkat4bt at gmail.com
Thu Sep 26 18:45:40 CEST 2013
Dear Tsjerk sir,
I used trjconv -pbc mol -ur compact options.
On Thu, Sep 26, 2013 at 9:17 PM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:
> Hi Venkat,
> It depends on what you mean with "removing pbc".
> On Sep 26, 2013 5:21 PM, "Venkat Reddy" <venkat4bt at gmail.com> wrote:
> Dear Sir,
> Thanks for the quick reply.
> I accidentally lost one of my raw .xtc files. But I have the noPBC xtc
> file. So, when ever I extend my simulation, first I am removing PBC then
> concatenating it with existing noPBC xtc file. Is it fine??
> On Thu, Sep 26, 2013 at 7:13 PM, Dr. Vitaly Chaban <vvchaban at gmail.com
> > I do not think that I ever tried myself, but is seems all the same. > Why
> do you ask? > > > Dr. V...
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With Best Wishes
Venkat Reddy Chirasani
Laboratory of Computational Biophysics
Department of Biotechnology
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