Harmonic Constrain like MMFP in CHARMM

From: Vahid Mirjalili (mirjaliliv_at_gmail.com)
Date: Fri Jan 20 2012 - 17:52:14 CST

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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

• Next message: Gianluca Interlandi: "GBIS and hydrophobic solvation"
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