[gmx-users] Umbrella Sampling - Changing force constant values between samples

[Dan Gil]

Hello,

I am wondering if it is valid to use different force constant (k) values
between samples for umbrella sampling.

It seems that gmx_wham accepts different k values in a set, but I wanted to
make sure this is OK. Should I be wary of any artifacts with these
simulations?

Best Regards,

Dan Gil
PhD Candidate
Department of Chemical and Biomolecular Engineering
Case Western Reserve University