[AMBER] How to define the speed of pulling ligand in SMD?

From: M RCC <mkr3j2c1.gmail.com>
Date: Wed, 29 Aug 2018 19:09:41 +0530

Dear Amber users,

In SMD of protein-ligand complex, How to define the pulling rate
(distance/time). How can I correlate the force constant (of pulling) and
pulling distance/ps?

What is the optimum rate of pulling?

Thank you!
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 29 2018 - 07:00:04 PDT