AMBER Archive (2009)

Subject: RE: [AMBER] Comparison of the CHARMM and AMBER parameters for alkane

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Fri Dec 04 2009 - 14:02:17 CST

Hello Ross,

> I should add to this that GLYCAM06 was parameterized to not use 1-4 scaling
> of electrostatics and VDW. Hence if you are using Glycam then you should set
> SCNB=1.0 and SCEE=1.0 in the cntrl namelist.

This is clear ;-) Here, 1-4 scaling factors were correctly used...

regards, Francois

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber