[gmx-users] analysing of the long trajectories

a a patd_2 at hotmail.com
Fri Jun 15 08:37:20 CEST 2012


try ptraj

Date: Fri, 15 Jun 2012 10:18:40 +0400
Subject: Re: [gmx-users] analysing of the long trajectories
From: jmsstarlight at gmail.com
To: gmx-users at gromacs.org

By the way,

I'm also looking for a most trivial way for extraction of pdb files from my trajectory on the desired intervals. E.g I have trajectory consisted of 5000 frames and I want to obtain 10 pdb files every each 500 frames ( or selected time interval as the alternative ).


Commonly I do it manually via VMD ( save pdb option) but is there any automatic way to do it expecially for a long trajectories?


James


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