[gmx-users] trjcat after trjconv

[Venkat Reddy]

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>wrote:

> I do not think that I ever tried myself, but is seems all the same.
> Why do you ask?
>
>
> Dr. Vitaly V. Chaban
>
>
> On Thu, Sep 26, 2013 at 3:40 PM, Venkat Reddy <venkat4bt at gmail.com> wrote:
> > Dear all,
> > I have a basic doubt. Is there any difference between the two processes
> > where
> > 1) I concatenate the trajectories and do trjconv to remove PBC, which is
> a
> > default process
> > 2) Do trjconv on all the xtc files separately and then concatenate them.
> >
> > Thank you for your time
> >
> > --
> > With Best Wishes
> > Venkat Reddy Chirasani
> > PhD student
> > Laboratory of Computational Biophysics
> > Department of Biotechnology
> > IIT Madras
> > Chennai
> > INDIA-600036
> > --
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-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036