Re: AMBER: Format of mdcrd files

From: Carlos Simmerling <carlos.csb.sunysb.edu>
Date: Wed, 09 Aug 2006 10:24:35 -0400

you will want to use ptraj for this.
read the ptraj section of the amber manual, especially
the distance command. It's on page 252 for Amber9.

Gobind Bisht wrote:

> Dear amber users,
> I want to analyse the mdcrd files of my
> simulation for distances between some specific grps vs time . What is
> the format in which this information is written into the mdcrd files
> and how do i extract it?
> Plz help
> thanx in advance
> Gobind Singh Bisht
> Department Of Biotechnology
> IIT Kharagpur, Kharagpur-721302
> West Bengal,


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Received on Sun Aug 13 2006 - 06:07:02 PDT
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