Re: ABF calculations - reaction coordinate

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon Nov 16 2015 - 20:30:56 CST

Hello Mohan, you should check out the DistanceZ component.

Giacomo
On Nov 16, 2015 8:16 PM, "Mohan maruthi sena" <maruthi.sena_at_gmail.com>
wrote:

> Hi all,
> I am trying to perform ABF calculations using NAMD. I want
> choose NH bond vector and surface normal vector [have plane surface] as
> reaction coordinates and want to find out angle between them. Could
> someone suggest me the relevant collective variable in ABF for this type
> of calculation?
>
>
> Thanks & Regards,
> Mohan
>

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