On Tue, Aug 06, 2013, Brian Radak wrote:
> Still, to my knowledge, there is no analytical Hessian implemented anywhere
> in sander or pmemd (can someone verify this?).
You are correct: Hessians are only in NAB and nmode.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 06 2013 - 13:30:02 PDT
