Myunggi Yi wrote:
Dear users,
I have borrowed some atom types from "ffgmx" for my new molecule, and
I'm getting distorted molecule. (I'm expecting a plane ring shape, but
I'm getting chair shape, especially attached hydrogens)
However, I can't find which one is which one.
Mixing force fields is an intrinsically bad idea. See
http://wiki.gromacs.org/index.php/Parameterization
Is it possible to turn off dihedral energy (proper and improper) for a
certain molecule?
If yes, then how can I do this?
Comment out these parts of your topology file.
Mark
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