AMBER Archive (2003)

Subject: Re: AMBER: Antechamber & Ptraj/Rdparm

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Dec 10 2003 - 12:17:37 CST

> *I cannot load the pdb file into the xleap without loading
> the prep file after I got the charges and atom types from ANTECHAMBER?

Exactly - the prep files are the templates to which the pdb
residues are matched, so must be loaded before the pdb. If
this is not done, new, parameterless residues are created
for the ones that lack templates.

Bill Ross

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