Dear Amber users.
I want to simulate a protein which has Arsenic binding to three cystiens, I
read the discussions about metalion forcefield parametrization using MCPB
and MCPB.py. Since metaloid is binding with three cystiens which model I
should use bonded model or non bonded model. if yes I don't have Gaussian
program, Is there any other way for geometry optimization.
Thanks in advance
Regards
Shilpa T
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Received on Fri May 15 2015 - 00:30:02 PDT
