Yes, conversion of the last frame to 'ncrestart' or 'restart' file format
works, but not to 'crd'. Thanks.
On Wed, 31 Oct 2018 at 02:45, David Case <david.case.rutgers.edu> wrote:
> On Tue, Oct 30, 2018, Thomas Evangelidis wrote:
>
> > is there any direct way to write the last MD frame to
> > the right crd format?
>
> You can use the "lastframe" keyword to trajin in cpptraj:
>
> trajin mytraj.trj lastframe
> trajout mylastframe.rst7 restart
>
> That will output the last frame of a trajectory file in restart (rst7)
> format.
>
> (Not sure if this is exactly what you are looking for or not....)
>
> ....dac
>
>
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--
======================================================================
Dr Thomas Evangelidis
Research Scientist
IOCB - Institute of Organic Chemistry and Biochemistry of the Czech Academy
of Sciences <https://www.uochb.cz/web/structure/31.html?lang=en>
Prague, Czech Republic
&
CEITEC - Central European Institute of Technology <https://www.ceitec.eu/>
Brno, Czech Republic
email: tevang3.gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Wed Oct 31 2018 - 04:30:02 PDT
