[AMBER] Arsenic force field parametrization

From: Sushi Shilpa <sushishilpa.gmail.com>
Date: Fri, 15 May 2015 12:33:56 +0530

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


Shilpa T
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Received on Fri May 15 2015 - 00:30:02 PDT
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