[gmx-users] using constant velocities during simulation

Qasim Pars qasimpars at gmail.com
Fri Apr 6 19:29:08 CEST 2018

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 during the simulation and the internal motions still would retain. However, using constant velocities won't alter the statistical consistency of the simulations...


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