Using the mdcrd file.
On Jul 17, 2014 11:14 AM, "Lara rajam" <lara.4884.gmail.com> wrote:
> Dear Amber
>
> I would like to post process the trajectory file.
>
> I want to minimize each frame in the mdcrd file that I got .
>
> I checked the earlier mails , I have a question.
>
> one should convert each frame to a rst file and it has to be given
> separately using
> the imin=5 option or it can be done for the whole trajectory with the mdcrd
> file as a single run .
>
>
>
> suggestions will help me in understanding
>
> thank you
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 17 2014 - 08:30:03 PDT
