AMBER Archive (2008)

Subject: Re: AMBER: trajectories into trajectory

From: Florian Haberl (Florian.Haberl_at_chemie.uni-erlangen.de)
Date: Sun May 25 2008 - 07:10:41 CDT

Hi,

On Sunday, 25. May 2008 13:30, Hakkim Boy wrote:
> Dear amber users,
> I did molecular dynamic simulations
> of proteins but during the dynamics simulation my job was killed due to
> error in input. After that I corrected my error and restarted with previous
> .rst file. Now I have three trajectories ie dyn.mdcrd, dyn1. mdcrd and
> dyn2.mdcrd. I am trying to convert all the three trajectories into single
> trajectory, can any one help me how to convert these three trajectories
> into single trajectory.

try something like

 ptraj prmtop < ptraj.in > ptraj.out

than edit the file ptraj.in

trajin dyn.mdcrd
trajin dyn1.mdcrd
trajin dyn2.mdcrd

trajout new.trj

greetings,

Florian

>
>
> With
> egards V. Hakkim Central Leather Research Institute Adyar
> Chennai-20
>
>
> ---------------------------------
> Bollywood, fun, friendship, sports and more. You name it, we have it. 

-- 
-------------------------------------------------------------------------------
 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26573
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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