[gmx-users] Lennard Jones + Buck'ham

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jul 9 03:04:55 CEST 2009

Robson da Silva wrote:
> Is there a way within GROMACS to use both Buckingham and Lennard-Jones
> potentials in the same simulation? 

Probably, but you will probably have to specify all VDW pairs of at 
least one kind of interaction, since the generation mechanism will 
probably not work.


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