Re: [AMBER] PMF

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Sat, 2 Jan 2016 22:49:56 -0800

If you're in a hurry to start, I would use a force constant comparable
to that of the bonds - 500 sounds high.

What constant are you using between your ligand and graphene?

Bill

On 1/2/16 10:34 PM, Rasha Alqus wrote:
> Dear amber users,
>
>
>
> I am running pmf calculation for my system, where i apply two forces the first one is on to keep my ligand at specific distance from graphene and the other force is applied to graphene ( position restraint)
>
> my question is dose using high values of force like 500 on position restrain on graphene effect my calculation.
>
>
>
> Thank you in advance for the help
>
>
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Received on Sat Jan 02 2016 - 23:00:04 PST
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