[gmx-users] .rtp file - how to define improper dihedrals?
addiw7 at googlemail.com
Tue Jul 15 14:57:50 CEST 2014
Dear Gromacs experts,
Let's say I want to keep in plane such a structure:
What is the proper order of atoms for CHARMM22 force field in
aminoacids.rtp file under
[ impropers ] section?
A C D B 0.0 200.0
Does the order or C B and D matter at all? Or the central A atom should be
at the end?
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