AMBER Archive (2006)

Subject: Re: AMBER: Format of mdcrd files

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Wed Aug 09 2006 - 09:24:35 CDT

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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