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)?
Regards
--
Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
37077 Goettingen
Germany
Tel. : ++49 551 201 2310
Fax : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
mgoette2[at]gwdg.de
WWW : http://www.mpibpc.gwdg.de/groups/grubmueller/
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