Hi,
I don't follow. Constant velocities can't be consistent with a dynamical
simulation with forces between particles.
Mark
On Fri, Apr 6, 2018, 19:30 Qasim Pars wrote:
> Dear users,
>
> I would like to use the constant velocities for all the atoms of both
> protein and
Dear users,
I would like to use the constant velocities for all the atoms of both protein
and ligand during all the simulation steps (EM, NVT, NPT and MD). Do you know
how I can do that with GROMACS? In this case, the COM, the linear momentum and
angular momentum of both groups wouldn't change