[AMBER] Side chain correction for ASP

From: Steven Neumann <s.neumann08.gmail.com>
Date: Wed, 17 Oct 2012 16:35:06 +0100

Dear Amber Users,

I want to run long simulation with amber99SB*-ILDN-Q where Q states
for the change in charges of Asp, Lys, Glu, Arg, Hip and change in
side-chain torsion correction for Asp after refitting charges. I used
to work with Charmm and Gmx before so I have no clue how to change the
torsion correction for Asp (k1, k2, k3, k4, k5, k6 for N-Ca-Cb-Cg and
for Ca-Cb-Cg-O). Could you please provide me a file in Amber99SB*-ILDN
in which torsion corrections appear and can be changed? I know how to
change charges which is straightforward.

Thank you,


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Received on Wed Oct 17 2012 - 09:00:03 PDT
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