Re: dcd files

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sun May 22 2011 - 09:10:29 CDT

On Sun, May 22, 2011 at 9:02 AM, Molecular Dynamics <
moleculardynamics_at_yahoo.com> wrote:

> Dear namd users,
>
> Is there a tool for converting binary dcd files into ascii format in order
> to do analysis for dynamic properties ?
>

there are many. part of the NAMD/VMD canon is a tool called catdcd that can
convert dcd files into other formats, many of which are in ascii.

that being said, there are also many tools around that allow all kinds of
analysis for dcd files, not to mention that a lot of analysis can be
scripted
from within VMD. the latter approach is almost always preferable, as it
is more flexible and avoids having to write a parser for data files.

cheers,
     axel.

>
>
> Thanks in advance
>
> M
>
>

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:23:59 CST