Hi all:
When I was reading the turotial of
remd(
http://ambermd.org/tutorials/advanced/tutorial7/), I found a question
that the author set up irest=0, ntx=1 rather than irest=1,ntx=5 in the
remd.mdin. I want to know why we give up the speed produced by the
equilibrium step and produce a new speed by ntx=1.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 18 2014 - 18:00:02 PDT
