[gmx-users] Lennart Jones only
Markus O Kaukonen
mokaukon at cc.helsinki.fi
Thu Nov 29 08:35:32 CET 2001
Dear all,
Is it possible to get Lennart Jones (Buckinham) interaction ONLY
and switch off all other interactions by just manipulating input
files (cutoffs???) without touching the source code?
I would like to get the Lennart Jones (Buckinham) total energy and
forces.
Cheers, Markus
--
++++++ OFFICE ++++++++++++++++++++++++++++++++ HOME ++++++++++++
Markus.Kaukonen at helsinki.fi \ Verajakallionkatu 6 a 5
Helsinki Bioenergetics Group \_______ 02600 Espoo, Finland
Institute of Biotechnology \ tel:+358-(0)9-5127122/h
Biocenter 2, P.O.BOX 56 (Viikinkaari 5) \____
FIN-00014 University of Helsinki \______ H+ ______
tel: +358-(0)9-19159749/o, fax: +358-(0)9-19158001 \
--- Rikos ei kannata, eika maatalous Suomessa. (Paimio 1998) ---
More information about the gromacs.org_gmx-users
mailing list