[gmx-users] Re: dihedrals again
andreamuntean at gmail.com
Tue Oct 28 11:57:12 CET 2008
Remark: if I change that dihedral with
-CH CH2 CH CB gd_17,
that it gives again 2 9 10 11 , but this time with gd_17, as it should do.
But why it does not work with the other definition? Does it have to do
with the fact that in the dihedral I have atoms belonging to 3
And are the 2 definitions (with +CH2 and CB at the end) equivalent,
taking in acount that we define also an improper of type gi_2 around
the CH atom?
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