AMBER Archive (2009)

Subject: [AMBER] SMD in Amber10

From: Dmitri Nilov (nilovdm_at_gmail.com)
Date: Thu Mar 12 2009 - 13:12:13 CDT

Hello!
Is there facility to pull ligand from active site in Amber10?
I mean steered molecular dynamics when external harmonic force is applied,
in other words a "spring" connected
to ligand is retracted in certain direction with constant velocity.
I can`t get clear answer from Manual and mailing list. Could you help me?

Dmitri Nilov,
Lomonosov Moscow State University
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber