AMBER Archive (2001)

Subject: AMBER vdW

From: Ryan H. Lilien (Ryan.H.Lilien_at_Dartmouth.EDU)
Date: Fri Apr 13 2001 - 08:41:59 CDT

Hello,
  I'm trying to implement the AMBER vdw term and am coming across missing parameters. I am using parm96.dat (or parm99.dat) and am using the all_amino94.in amino acid templates. Several atom types specified in the all_amino94.in file are not found in the parm96.dat (or parm99.dat). Specifically the atom types N3, C*, CW, NA, CN, and CB don't have R and e values in the parm files. Since these atom types are specified in your AA-template file I'm assuming that you have parameters for them. Please advise.

Thank you,
Ryan Lilien

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Department of Computer Science
Dartmouth College