Re: Harmonic Constraint: 2 types

From: JC Gumbart (
Date: Sun Nov 26 2006 - 23:21:21 CST

SMD can be used to apply a constraint along one axis only. So you
could use SMD for the lipid headgroups with a velocity of 0 and a
direction of 0 0 1. It only applies to the center of mass actually,
but hopefully this will be sufficient for your purposes. Then you
can just use harmonic constraints for your protein.

On Nov 26, 2006, at 7:36 PM, Morad Alawneh wrote:

> Dear NAMD users,
> I would like to have two kinds of harmonic constraints in my system.
> The first one is constraining the protein harmonically in the x, y,
> and z directions.
> The second one is constraining the lipids' headgroup in the z
> direction (PLANER CONSTRAINT).
> According to what I read in the manual, only one kind can be applied.
> Does any one have an idea how to do that?
> Thank you.
> Morad Alawneh

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