[gmx-users] calculation of distance , angle ,dihedral
anoddlad at yahoo.com
Mon May 28 19:39:12 CEST 2007
Read the manual. There's a section on available analysis programs towards the back, all of which start with g_
If I were you, I'd narrow my search to something along the lines of: g_dist, g_angle, and g_dihedral.
That might be uncannily helpful.
----- Original Message ----
From: Mark Abraham <Mark.Abraham at anu.edu.au>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Monday, May 28, 2007 1:57:45 PM
Subject: Re: [gmx-users] calculation of distance , angle ,dihedral
job560 at sohu.com wrote:
> Everybody, thank you for check my mail.
> I am new one on Gromacs, Now I have three problems ,I need to do some
> calculation ,please help me ! Thank you!
> 1. the distance of two specified atoms .
> 2. angle of three specified atoms.
> 3.dihedral of four specified atoms
> If commands, in detail the better!
I don't know the context in which you want to do these measurements, and
I can't read minds.
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