[gmx-users] Planar group (again)
mathieu.coincon at UMontreal.CA
Fri Mar 26 23:35:01 CET 2004
I am sorry if my questions seem to be always the same but I have again
difficulty to keep a group of atom planar after minimisation (the first
time I succed).
You could find a description of my molecule on this site with my .itp
What g_di (I use ffG43a1) or what exclusions I have to add to keep my
atoms planar ?
I already treid to exclude my oxygens and/or my HH.
My charges are an "average" of charges given by gaussian and charges
taken fron different groups of the .rtp library. Could it be a problem
Mathieu Coincon PhD Student
Universite De Montreal/Departement de biochimie
Pavillon Roger Gaudry Local D345
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