[gmx-users] Minimization and Equilibration in PMF

[Alex]

Dear gromacs user,

I was wondering if all the minimization and equlibrations(NVT and NPT)
which are necessary to be  done before every normal production run of MD,
should also be done in each windows of umbrella sampling in order to have a
good PMF curve? Or they can be waved and still have a good and reliable
curve.

Thanks,

Regards,
Alex