Dear Amber Users!
I'm trying to set up a simulated annealing MD for a complex of a protein
and a small drug. I want to keep the protein at a fixed temp, while varying
the temperature of the ligand. Is it possible to set up multiple
temperature groups in AMBER (similar to GROMACS) and how should it be done?
Thanks for the help,
István Lőrincz
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Received on Thu May 03 2018 - 07:30:03 PDT
