Dear Amber users,
I would like to get the van der Waals parameters and 6-12 potential
parameters of NB in parm99.dat. But I can't find these parameter after "MOD4
RE". And there are some atom type including NB is listed before "MOD4 RE".
What does that mean? How can I get the parameter I wanted?
Thank you very much
from parm99.dat
N NA N2 N* NC NB NT NY
C* CA CB CC CD CK CM CN CQ CR CV CW CY CZ
MOD4 RE
H 0.6000 0.0157 !Ferguson base pair geom.
HO 0.0000 0.0000 OPLS Jorgensen,
JACS,110,(1988),1657
HS 0.6000 0.0157 W. Cornell CH3SH --> CH3OH FEP
HC 1.4870 0.0157 OPLS
Best Wishes,
Chen Chengwen
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Received on Sun Mar 11 2007 - 06:07:21 PDT
