Re: [AMBER] How to extract each frame of a trajectory as individual .mdcrd files?

From: Brian Radak <radak004.umn.edu>
Date: Wed, 30 Apr 2014 09:43:51 -0400

This type of calculation is well-described on pages 285/286 of the Amber14
manual
 and does not require any use of ptraj/cpptraj.

Regards,
Brian


On Wed, Apr 30, 2014 at 9:28 AM, Yip Yew Mun <yipy0005.gmail.com> wrote:

> Hi, I wish to ask about how the ptraj/cpptraj script would look like if I
> were to extract each frame of a trajectory as individual .mdcrd files? I’m
> doing this to calculate the protein’s energy frame by frame using imin=5.
>
> Thanks.
>
> Regards
> Yip Yew Mun
> Graduate, PhD
> Chemistry and Biological Chemistry
> School of Physical and Mathematical Sciences
> Nanyang Technological University
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>

-- 
================================ Current Address =======================
 Brian Radak                                             :     BioMaPS
Institute for Quantitative Biology
 PhD candidate - York Research Group       :     Rutgers, The State
University of New Jersey
 University of Minnesota - Twin Cities         :     Center for Integrative
Proteomics Room 308
 Graduate Program in Chemical Physics     :     174 Frelinghuysen Road,
 Department of Chemistry                          :     Piscataway, NJ
08854-8066
 radak004.umn.edu                                 :
radakb.biomaps.rutgers.edu
====================================================================
Sorry for the multiple e-mail addresses, just use the institute appropriate
address.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Wed Apr 30 2014 - 07:00:03 PDT