[AMBER] About force constant in umbrella sampling

From: Mo Chen <mc842.cornell.edu>
Date: Thu, 19 Apr 2012 13:46:34 -0400

Dear Amber developers/users,
May I ask how is the force constant defined in the biased potential of
umbrella sampling? Is it the k of

Ubiased=k(r-rc)^2

or

Ubiased = k/2*(r-rc)^2

?

Thank you!

Best,
Mo
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 19 2012 - 11:00:03 PDT