I think it is a mistake to try to recover from a bad trajectory where
you see *** in .rst - better to re-run from last good .rst with iwrap
or whatever it takes to fix things. Throwing away or replacing
velocities mean you have to re-equilibrate to some degree.
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 12 2010 - 15:00:04 PDT
