(unknown charset) Hybdrogen bonds and LJ 10-12

From: (unknown charset) Michal Otyepka <otyepka.aix.upol.cz>
Date: Wed, 21 May 2003 11:49:47 +0200 (DFT)

Dear AMBERs,

the AMBER force field equations contain only coulombic and LJ 6-12 terms
for non-bonding interactions. Could anyone tell me, please, why does AMBER
correctly describe H-bonds without LJ 10-12 term? Why is combination of
LJ 6-12 and Coulombic terms sufficient and succesful? (What article should
i read?)

Thank you for your help.

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 |
*-------------------------------------------------*
Received on Wed May 21 2003 - 11:53:01 PDT
Custom Search