Dear Amber users and developers,
how is it possible to extract atom forces from the mdcrd file (NetCDF
format)
in some structured/ordered manner?
I tried
ncdump -v forces name.mdcrd
and the output goes straight in the terminal window (presumably Fx, Fy, Fz).
Kind regards,
Nick
Nikolay Kuzmich
Department of Drug Safety,
Research Institute of Influenza,
WHO National Influenza Centre of Russia,
15/17 Professor Popov St.,
Saint-Petersburg
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 09 2018 - 04:30:02 PDT
