Improve performance

From: Ropon-Palacios G. (biodano.geo_at_gmail.com)
Date: Thu Jan 28 2021 - 18:08:39 CST

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Dear namd users,

How can i improve namd2.14 performance on GPU?

I`m using namd2.14 for run membrane protein simulation, but namd only use nor more the 50% of GPU, as can I make to improve this performance.

For other hand, if during equilibration of protein-membrane is necessary keep water out membrane?

Thanks,

Best,

Geo.

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