Re: AMBER: output of force field info

From: Thomas E. Cheatham, III <>
Date: Mon, 16 May 2005 19:21:51 -0600 (Mountain Daylight Time)

> Is there any convenient way to have the program output a summary
> of all force field info that is being applied to the molecule or
> portions of in? I'm mostly looking for a confirmation of what I fed
> in when I made my own molecule. Thanks for the info.

With rdparm, you can inspect bonds, angles, dihedrals and the nonbonded

printlj, printtypes, bond, angle, dihedral, ...

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Tue May 17 2005 - 02:53:00 PDT
Custom Search