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

From: FyD <>
Date: Fri, 04 Dec 2009 21:02:17 +0100

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

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Received on Fri Dec 04 2009 - 12:30:02 PST
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