[AMBER] COM Dihedral Restraint

From: Kung, Ryan <ryan.kung.uleth.ca>
Date: Thu, 11 Apr 2019 09:23:17 -0600

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,
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Received on Thu Apr 11 2019 - 08:30:05 PDT
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