[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



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