AMBER Archive (2009)
Subject: Re: [AMBER] Can I get the torsion angle between base-pairs using ptraj ?
From: Jordan Monnet (monnet.jordan_at_free.fr)
Date: Wed Jul 15 2009 - 17:56:12 CDT
This ptraj input will convert you trajectory to pdb files:
trajout traj.pdb pdb nobox
You will get traj.pdb.1, traj.pdb.2 etc...
* Myeong Lee (wnagne_at_gmail.com) wrote:
> Dear Amber users:
> I want to get the torsion angle between base-pairs (or two planes defined by
> DNA bases) from the MD trajectory, so that I can see how the torsion angle
> changes with time. Can ptraj do that?? I think maybe not because I should
> be able to define plane in ptraj. The other option is to obtain pdb file
> (or rst file -- then I can convert into pdb) for each time step from
> trajectory, then I can write a simple code and shell script to obtain
> torsion angle for each time step. Can you please help me what's the best
> way to do this? Many thanks!!
> - wnagne
> AMBER mailing list
Bachelor in Biology & Computer science
University of Paris Diderot (Paris VII)
Phone: +336 20 70 24 93
AMBER mailing list