[gmx-users] Re: dihedrals again

Andrea Muntean 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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