On Tue, Jan 24, 2023, Dulal Mondal via AMBER wrote:
>I use the "setvelocity" command and generate a trajectory file which
>contains both position and velocity.
I don't think the setvelocity command does what you describe above --
although perhaps I'm not clear about what you mean.
Consider using the combination of ioutfm=1 and ntwv=-1: this will create a
netCDF trajectory that has both coordinate and velocity information.
Velocity units are in Amber's internal units: Angstroms per 1/20.455 ps
See
https://ambermd.org/Questions/units.html
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jan 24 2023 - 09:30:03 PST
