[gmx-users] nonbonded LJ-parameters

Berk Hess gmx3 at hotmail.com
Mon Mar 7 19:09:48 CET 2005


>I have a remark/question concerning the use of nonbonded LJ-parameters in
>GROMACS.

I have recently fixed the nonbond_params and pairs section to read 
sigma/epsilon
for combination rules 2 and 3.
This fix is in CVS and will be in the next release.

Berk.

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