[gmx-users] Verlet algorithm in GROMACS

Jianwei Wang jwwang at ucdavis.edu
Fri Jun 9 19:40:36 CEST 2006

Hi, Seems GROMACS implements leap-frog version. What are the stored
quantities, are they the current positions and velocities in the trajectory
file? How do I restart a simulation at the exact point (position and
velocity) of a previous simulaton.

Does GROMACSD have velocity Verlet for an alternative?


More information about the gromacs.org_gmx-users mailing list