Re: AMBER: output of force field info

From: David A. Case <>
Date: Mon, 16 May 2005 17:16:55 -0700

On Mon, May 16, 2005, Stern, Julie wrote:

> 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.

The anal program can do this (if I understand what you want). In amber8, look
in $AMBERHOME/doc/anal.pdf for instructions, and in $AMBERHOME/test/vac_rna
for an example calculation.

Set the cutoffs of card "6" to zero if you want to see all of the force field
terms...obviously, this is only feasible for a fairly small system.

....good luck...dac

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Received on Tue May 17 2005 - 01:53:00 PDT
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