> I checked 'DG.prep' file(from xleap by typing 'saveamberprep DG DG.prep'),
> and I could see there are 8 improper torsions assigned for Guanine.
Good strategy, but the impropers written when saving a prep file are
all the ones that are topologically possible, which is a different
set from the ones that the ff actually applies. The applied ones are
determined by matching the impropers in the parm.dat file to those
in the topology - only matching impropers are used.
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 09 2009 - 10:30:03 PDT
