Re: AMBER: Specific/Non-specific dihedral issue in Amber

From: Bill Ross <>
Date: Mon, 9 Jul 2007 11:48:28 -0700 (PDT)

I believe the multiplicity must also match for a specific dihedral
term to replace a general one, e.g.

Again for H4' C4' C3' O3' (atom types: H1 CT CT OS)
      34: 0.250 0.00 1.0 H4' C4' C3' O3' (9,8,25,31)
     35: 0.156 0.00 3.0 H4' C4' C3' O3' (9,8,25,31)

The multiplicity of 1.0 comes from the specific term, the one
for 3.0 comes from the general term (X-CT-CT-X).

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Received on Wed Jul 11 2007 - 06:07:32 PDT
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