Dear All,
I am trying to run H-REMD with 4 replicas. I intend to keep the time of
simulation equal to 100 ns per replica. Running the calculation on CPU with
sander.MPI or pmemd.MPI is essentially time-consuming with approximately
60,000 atoms per replica. What are the implications of running H-REMD on a
single GPU node?
Regards,
Vaibhav Bhatt,
Ph.D Scholar,
Department of Chemistry,
Shiv Nadar Institution of Eminence.
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Received on Mon Aug 25 2025 - 03:00:03 PDT
