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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jan 02 2016 - 23:00:04 PST
