[gmx-users] non-bonded potential

Velia Minicozzi velia.minicozzi at roma2.infn.it
Wed Dec 6 16:32:33 CET 2017


Dear gromacs-users,

is there a possibility, without changing GROMACS code, to insert in GROMACS

a non-bonded potential with 6 parameters?

I have understood I can use only two parameters non-bonded potentials by 
building

tables but maybe there is a way to insert a more complicated non-bonded 
potential

with a LJ like with 4 parameters plus a Buckingham like.

Thank you,

Velia



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