[gmx-users] OPLS modification between 3.3 and 3.3.1??
Mark.Abraham at anu.edu.au
Thu Apr 20 00:08:47 CEST 2006
chris.neale at utoronto.ca wrote:
> ffoplsaa.rtp has changed in the 3.3.1 release. However, there are no references
> given and no special notification of this fact. I was wondering if anybody knows
> the references for this change.
Searching for opls_210 or dih_LYSH_chi5_C_C_N_H on the mailing lists
would have lead you to
which seem to explain the changes you observed.
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