mdff energy calculation

From: snoze pa (
Date: Mon Apr 02 2012 - 10:56:28 CDT

Dear NAMD users,

Why mdff fit shows a positive total energy? Is it okey. Also in NAMD2.9b
version, I found different results using cuda-multicore and multicore
version. multicore version is giving positive total energy while cuda is
giving negative energy. Do you think there is some problem with out
graphics card?

thank you


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