Re: [AMBER] Arsenic force field parametrization

From: Andrew Schaub <>
Date: Sat, 16 May 2015 22:55:13 -0700

Another option for forcefield parametrization is the RED Server. I use . There is a
tutorial on how to use the server:
Francois on the RED mailing list just responded to someone also dealing
with arsenic parameter issues a few days ago. He suggested they look at
the following tutorial as a guide to parametrize arsenic using the RED

On Fri, May 15, 2015 at 12:03 AM, Sushi Shilpa <>

> 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 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
> _______________________________________________
> AMBER mailing list

Andrew Schaub
Graduate Program in Chemical & Structural Biology
Tsai Lab, http:/// <>
University of California, Irvine
Irvine, CA 92697-2280
949-824-8829 (lab)
949-877-9380 (cell)  <>
AMBER mailing list
Received on Sat May 16 2015 - 23:00:02 PDT
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