CUDA limitations

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Thu May 12 2011 - 03:07:02 CDT

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Dear all,

I'm wondering if there is a list of NAMD features not supported by CUDA
builds. Currently the manual just states
"Some features are unavailable in CUDA builds, including alchemical free
energy perturbation."

I think that the implicit solvent is also not currently supported.
I am most interested in ABF and meta-dynamics in membranes.
Does ABF work? What about useFlexibleCell and useConstantRatio or
useConstantArea?
What about accelerated
MD<http://www.ks.uiuc.edu/Research/namd/2.8b1/ug/node63.html>?
And the new Martrini force field?

Thank you & best regards,
Ajasja Ljubetič

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