AMBER Archive (2003)

Subject: AMBER: calculation of LJ 12-6 from .dat file (fwd)

From: Michal Otyepka (otyepka_at_aix.upol.cz)
Date: Thu Oct 02 2003 - 09:53:27 CDT

Dear AMBERs,

could you answer me, please, my simple question?

How can I calculate epsilon (well depth) of L-J 12-6 potential e.g.
for CT-O2 pair from FF param. file?

Thank you in advance,

Michal Otyepka

*---------------------------------------------[*]-*
| Department of Physical Chemistry |
| Palacky University |
| tr. Svobody 26, 771 46 Olomouc, Czech Republic |
| |
|ph. +420 58 563 4756 fax +420 58 563 4420|
| |ù
|http://fch.upol.cz |
*-------------------------------------------------*

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