AMBER Archive (2005)

Subject: Re: AMBER: units

From: David A. Case (case_at_scripps.edu)
Date: Wed Jan 12 2005 - 11:22:03 CST

On Wed, Jan 12, 2005, Monica Civera wrote:
>
> which units are in the topology file the Lennard-Jones terms
> ACOEF and BCOEF?

A is in units of kcal/mol-Ĺ**12; B is kcal/mol-Ĺ**6.

Generally, energies in Amber are in kcal/mol, disatances are in Ĺ.

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu