AMBER Archive (2002)

Subject: Re: combining trajectory file

From: Natasja Brooijmans (nbrooij_at_itsa.ucsf.edu)
Date: Tue Mar 12 2002 - 10:00:38 CST

You can use ptraj to do this

Best,

Natasja

Natasja Brooijmans
Graduate Program in Chemistry & Chemical Biology
Department of Pharmaceutical Chemistry
University of California, San Francisco
San Francisco, CA 94143-0446
phone: 415-476 8291
fax: 415-502 1411
e-mail: nbrooij_at_itsa.ucsf.edu

On Tue, 12 Mar 2002, Rukman Hertadi wrote:

> HI Amber fans,
>
> I am using AMBER 6 recently for my simulation work. I divided my long
> simulation into several files but I have a problem in combining those files.
> I tried to use "cat" to cambine them, for example:
> cat md1.traj > md.traj
> cat md2.traj >> md.traj
>
> However, when I used ptraj to generate the rmsd of the new combined
> trajectory files, the program did not read the file completely. Anybody who
> knows to solve this problem, please tell me.
>
> Thanks in advance.
>
> Rukman Hertadi
>
> Laboratory of Biodynamics
> Graduate School of Biosience and Biotechnology
> Tokyo Institute of Technology
>
>