Hi,
The vv integrators write velocities on the full step, but those in the .tpr
file are interpreted as occurring on the previous half step (which is
consistent with how the leap-frog integrators start up). So a half-step of
integration (ie. of velocities) takes place before any trajectory output
Dear Gromacs users,
I am experiencing an issue in trying to perform a dynamics run by feeding in my
own starting velocities. My procedure is as in the following:
1) I build my .gro file with the desired starting position and velocities;
2) I choose the flag "no" for the "gen-vel" option in the .
