AMBER Archive (2004)

Subject: Re: AMBER: How to test the used parameters.

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Aug 11 2004 - 12:31:28 CDT

> LEaP did not like it to be alone in the pdb file.

You need to make a Zn residue template if it doesn't exist
(see the ions94.cmd script), and put TER cards on either
side of it in the pdb to make it a separate molecule.

Bill
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