Re: [AMBER] to understand 1-4 interactions in Amber FF

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 15 Jun 2010 09:56:12 -0700

> NSTEP ENERGY RMS GMAX NAME NUMBER
> 1950 -2.2514E+08 5.9075E+13 3.4193E+14 O01 4

Note that something is wrong with atom O01.

Bill

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 15 2010 - 10:00:05 PDT
Custom Search