Hello All,
I was trying to use pmemd.cuda on AMBER18.11 to run simulations with a COM
dihedral restraint but I got the notice "CUDA (GPU): Implementation does
not currently support the use of COM simulations for angle or dihedral
restraints. Require iat(3) >= 0."
I was wondering if this was added in updates 12 or 13? If not, is this
functionality being added anytime soon?
Thanks in advance,
Ryan
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Received on Thu Apr 11 2019 - 08:30:05 PDT
