[gmx-users] buckingham and LJ
Matthew Watkins
matthew.watkins at ucl.ac.uk
Fri May 1 15:40:49 CEST 2009
Dear all,
I would like to use a force-field that includes both Buckingham and LJ
non-bonded interactions.
I think this cannot be done in an absolutely straightforward way, but
please correct me!
If it is not possible can the LJ interaction be included as a user
specified potential whilst still using the standard buckingham
potentials? Any hints on doing this would also be excellent.
Cheers,
Matt
More information about the gromacs.org_gmx-users
mailing list