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
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Received on Wed Jan 16 2013 - 05:30:03 PST
