Dear all,
I wish to investigate the catalysis mechanism of ATPase which hydrolyze ATP into ADP and pi. Can the bond breaking process simulated by molecular dynamcis simulation with amber? I know MM/QM may do this, but what will the time scale be? Is it feasible in a usual workstation with GPU?
Best regards.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun May 19 2019 - 05:00:01 PDT
