[AMBER] LJ parameters for Ho in GLYCAM06 changes

From: ABEL Stephane 175950 <Stephane.ABEL.cea.fr>
Date: Wed, 16 Jan 2013 13:05:26 +0000

Dear all,

I have noticed that the LJ values for Ho atom in GLYCAM06 have been changed between the GLYCAM06-h-1.dat and GLYCAM06-g-1.dat force field versions

GLYCAM06-h1: Ho 0.2000 0.0300 M.B. Tessier 2011, use by permission only
GLYCAM06-g1: Ho 0.0000 0.0000 OPLS Jorgensen, JACS,110,(1988),1657

It is possible to have in few words a justification of this change and its impact in ND simulation

Stephane
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 16 2013 - 05:30:03 PST
Custom Search