[gmx-users] Force constraint on a single atom

[Hadi Rahmaninejad]

Hello Dear Gromacs users

I need to do umbrella sampling on a single atom. Instead of doing "pulling"
simulation or umbrella sampling, I put a constraint on the atom and after
simulation I got the trajectory of that atom using VMD. The only thing that
I should check is that: Is the constraint in Gromacs harmonic potential? If
yes, does my idea make sense? I highly appreciate if any of you can help me
with this.

Best,
Hadi