Technique issue with free energy calculation on GPU

From: Jun Zhang (coolrainbow_at_yahoo.cn)
Date: Tue Mar 01 2011 - 08:24:59 CST

Hello everyone:

It seems that in NAMD2.7 the FEP calculation cannot be performed on GPU device. Does anyone know what technical reasons have constrained FEP calculation only on CPU. Thank you in advance!

Jun Zhang
Nankai University
coolrainbow_at_yahoo.cn

      

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