From: Michal Skoczek (ncskocze_at_cyf-kr.edu.pl)
Date: Tue Dec 17 2013 - 04:57:38 CST
I have posted that question while ago and no answer given, thats why I am
I am having an issue with replica exchange simulations.When I run the
example command located in fold_alanin.conf,using the +replicas flag
throws the error:
Charm++ fatal error:
FATAL ERROR: Unknown command-line option +replicas
I'm using the latest NAMD_2.9_Linux-x86_64-multicore-CUDA binary and
simply attempting to run on my local workstation (CPU i7 960, GPU GeForce
GTX 580, Ubuntu 12.04 64-bit).
- Is this the wrong NAMD binary or is there something else that
I am missing here?
- Should I compile NAMD from the source ?
- Do I need any extra libraries or should I move the existing ones
(lib/replica) to another catalogue?
I can provide any details that seem relevant. Any help regarding this
subject would be greatly appreciated!
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