Re: [AMBER] want to ask you about MMPBSA.py .mdcrd file

From: Dr. M. Shahid <mohammad.shahid.gmail.com>
Date: Tue, 19 Apr 2016 10:12:40 +0200

Hi,

The trajectory files are split into multiple files due to restarting md
from restart files, thats why there are four or more trajectory files
resulting from each .mdin file.
These files are later combined in for doing further analysis such as mmpbsa
etc.

Best regards,

--
Shahid.
On Tue, Apr 19, 2016 at 9:55 AM, Ayesha Kanwal <ayesha_comsian.hotmail.com>
wrote:
> Hi all,
> i have a question about amber advanced tutorial for .mdcrd. there is a
> single file of mdcrd named prod.mdcrd and four parameter files. i want to
> know .mdcrd traj. file is for which parameter file ?
> or i have to put four .mdcrd files for all four parameter files?
> if in your tutorial there is only one .mdcrd file then what is it's
> purpose ?
>
>
> _______________________________________________
> 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 Tue Apr 19 2016 - 01:30:03 PDT