[gmx-users] Planar group (again)

[Anton Feenstra]

Yiannis Nicolis wrote:

> Thanks for any attempt to clarify a little bit this benzene ring plane :-)

In the Gromacs & Gromos ff's it is customary to put impropers not on the
bonds, so the '6 around the ring' will be like:
C1 C3 C2 C4
and the 6 for the hydrogens would be like:
C1 C3 H2 C2

While this may seem strange, I've been told it leads to somewhat better
dynamical stability of the planar group. But, of opls the 'custom' may
be different.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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