Dear all,
is there any way how to obtain, for the given frame from amber MD
trajectory, list of chosen atoms with associated
total forces acting on each atom in the given list ? If yes, is it also
eventually possible to obtain more detail list
where is listed nonbond and bond part of the total force acting on each
atom ?
Thank you very much in advance for any useful information !
Best wishes,
Marek
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Sep 14 2010 - 09:00:03 PDT
