[gmx-users] query on replica exchange

Sanku M msanku65 at yahoo.com
Fri May 31 06:27:43 CEST 2013

  I am wondering if there is a way I can use twice more number of replica than the number of CPU is available so that each replica will run at 50 % CPU usage..For example if I have 48 replica and have 24 CPUs, is it a possibility to perform Replica exchange in gromacs ?
I was using gromacs4.5.4 and I could not get it worked. It works only when I had atleast equal number of Replica and CPU available.
Any help will be appreciated.

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