Hi, all amber users,
I want add a parameters of torsion in frcmod.ff03, but I don't know the exact means of the character of second,third and forth colums:
CT-CT-C -N 1 0.0000 0.0 -4.
CT-CT-C -N 1 0.0560 0.00 -3.
CT-CT-C -N 1 0.0657 180.00 -2.
CT-CT-C -N 1 0.7784 180.00 1.
Any help will be appreciated!
regrad,
quan
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Received on Fri Apr 17 2009 - 01:07:39 PDT