Dear Amber developers,
Recently we try to perform PIMD simulation with the MC barostat by
using Amber18. Unfortunately, we got the error message "PIMD is not
compatible with the MC Barostat". We really need to use MC barostat in PIMD
for our purpose. So how could we modify the sander codes to make it ?
Thanks in advance !
Best,
Jinfeng
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Received on Fri Aug 23 2019 - 17:30:01 PDT
