[AMBER] No hybrid REMD for cuda?

From: Hugo Azurmendi <hazur_99.yahoo.com>
Date: Wed, 3 Sep 2014 12:53:25 -0700

I'm trying to run a hybrid T-replica exchange on Amber 14 using pmemd.cuda.MPI in a GPU, but the parameters numwatkeep and hybridgb apparently are not recognized. I didn't find information on this on the manual nor a cuda test in $AMBERHOME. My system is relatively small and the T_remd runs OK (ignoring the mentioned parameters) , but I'm having problems to set temp0 to have relatively uniform exchanges through the replicas (trying with 10 now) and I believe using a hybrid EP strategy might help to improve exchange rates. 
Looking forward for comments.
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Received on Wed Sep 03 2014 - 13:00:04 PDT
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