[gmx-users] OPLS entries Thiophosphate

Maik Goette mgoette at mpi-bpc.mpg.de
Tue Jul 4 10:07:04 CEST 2006

Hi all

I tried to get OPLS parameters for thiophosphate but just found some 
X-Plor entries in the HicUp.
Does anyone know of OPLS parameters published somewhere, or at least 
answer the question, if it's possible to transfer the x-plor data to 
GROMACS (I still don't know the units and stuff from the xplor files)?


Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
37077 Goettingen
Tel.  : ++49 551 201 2310
Fax   : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
WWW   : http://www.mpibpc.gwdg.de/groups/grubmueller/

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