Re: Harmonic Constrain like MMFP in CHARMM

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Fri Jan 20 2012 - 18:42:26 CST

upperBoundary, defined for a distanceXY variable?

On Fri, Jan 20, 2012 at 6:52 PM, Vahid Mirjalili <mirjaliliv_at_gmail.com>wrote:

> Dear all,
>
> I am a new NAMD user, and I want to apply a constrain potential which will
> only apply if the value of colvar is greater than a certain limit.
> This is similar to MMFP in CHARMM, like for example when we apply a
> harmonic cylindrical potential with outside option,
> so that only if |r-roff| > 0 the harmonic energy (r-roff)^2 and the
> corresponding force will be evaluated
>
> Is this possible to do this with NAMD or it needs implementation?
>
> Thanks,
> Vahid Mirjalili
> Michigan State University
>

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