[gmx-users] Fwd: Concatenating two trajectories

[Venkat Reddy]

Hi,
As far as I know, trjcat -f 1.xtc 2.xtc -o combined.xtc is enough to
concatenate two xtc files. No need to give any extra options (-cat or
-settime).


On Mon, Apr 21, 2014 at 11:02 AM, sunita gupta <sunita.bio at gmail.com> wrote:

> Hello Everyone,
>
>
> I have two trajectories of 40 ns each, the first one is from 0 to 40 ns and
> next one is extended to next 40 ns taking .cpt file of the first
>  I concatenating the two using two commands:
> 1. trjcat -f 1st.xtc 2nd.xtc -o combine1.xtc -cat
> 2. trjcat -f 1st.xtc 2nd.xtc -o combine2.xtc -settime (selecting 0.000 ps
> for 1st and 40000 ps for 2nd)
>
> But when I plotted the rmsd using combine1.xtc and combine2.xtc I am
> getting very strange plots
>
> Unfortunately I am not able to post the plots as its saying msg is too big
> to be posted and bouncing back...
> Can anyone suggest me whats wrong with this method.
>
>
>
>
>
> Best Regards
> --
> SUNITA GUPTA
> Senior Research Fellow
> Bioinformatics Centre
> Jawaharlal Nehru University
> New Delhi- 110067
> Email- sunita.bio at gmail.com
>
>
>
>
>
> --
> --
> SUNITA GUPTA
> Senior Research Fellow
> Bioinformatics Centre
> Jawaharlal Nehru University
> New Delhi- 110067
> Email- sunita.bio at gmail.com
> --
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-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036