[gmx-users] OPLS modification between 3.3 and 3.3.1??

Mark Abraham Mark.Abraham at anu.edu.au
Thu Apr 20 00:08:47 CEST 2006

chris.neale at utoronto.ca wrote:
> Hello, 
> 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 
and http://www.gromacs.org/pipermail/gmx-users/2005-December/018590.html 
which seem to explain the changes you observed.


More information about the gromacs.org_gmx-users mailing list