AMBER Archive (2003)

Subject: Re: AMBER: improper

From: ya ya (bj_0206_at_yahoo.com)
Date: Wed Oct 01 2003 - 09:59:16 CDT

I see this in Leap documentation:
"In Leap, improper torsions defined in prep input files are ignored. When an atom is connected to three other atoms, the force field currently loaded is searched for impropers corresponding to the types of the four atoms; any impropers found are applied."
Does it mean I don't need add any impropers when I make a prep input file for a new residue? but how do I know if the improper torsions that need for a new residue are in the force field?
Thank you very much.

Bill Ross <ross_at_cgl.ucsf.edu> wrote:
Leap does not recognise the IMPROPER section of prepin.
See the documentation in amberX/src/leap/0*

Bill Ross

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