Re: AMBER: AMBER frcmod+off input vs. prep input

From: Bill Ross <>
Date: Tue, 7 Jun 2005 10:58:06 -0700 (PDT)

> MY QUESTION: Is there a practical difference between
> the use of files and the use of a prep
> input file to introduce novel nucleotide parameters to
> xleap? Both methods appear to be equivalent.

The only parameters in prepin are charges. The atom types
in prepin index the ff parameters in frcmod/parm.dat files.

prepin is mostly equivalent to .off which has additional
info such as 'connect' atoms and residue type (solvent etc.)

So you need a frcmod for novel bond/angle/torsion/improper/vdw/mass
parameters in any case.

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Received on Tue Jun 07 2005 - 19:53:00 PDT
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