[gmx-users] change potential funtions
Nguyen Hoang Phuong
phuong at theochem.uni-frankfurt.de
Tue Feb 10 18:21:01 CET 2004
> Is T a constant temperature (i.e. given in the input file), or the
> actual temperature in the run?
> If it does not change in the run, the easiest solution by far is to
> change the input parameters in the force field.
yes, it is a given parameter. However, I would like to change the
potential function because in the next step I have to do V_modify = f(V_real) where
f is a nonlinear funcion of V_real.
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users