[gmx-developers] introduce effective potential

Berk Hess gmx3 at hotmail.com
Thu Apr 22 17:28:33 CEST 2004

>Dear Berk and David,
>I added the userreals to forcerec.h as follow

>Is it correct? And how can I put inputrec into bondfree.c?

Yes that is correct.
But if you have added the userreals to the forcerec, you do
not need the inputrec in bondfree.c.
The only thing you need to do is copy the values of the
userreals from ir to fr in init_forcerec in mdlib/force.c

We will probably also add this in the next release.


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