Compilation of NAMD for CUDA and replica exchange

Date: Fri Apr 29 2016 - 13:53:44 CDT

Dear Admin,

I am rather confused regarding which version of NAMD will allow me to do GPU accelerated REMD on a Linux Mint workstation with a Tesla K20. Does “Linux-x86_64-multicore-CUDA” support REMD? If not does that mean I have to compile NAMD with netlrts and CUDA capabilities and would it simply be a combination of the lrts and CUDA instructions in “notes.txt” or are there some finer points to take note of?

Thank you very much for any help rendered.

Best Regards,

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