AMBER Archive (2007)

Subject: Re: AMBER: MMPBSA-nmode .top question

From: David A. Case (case_at_scripps.edu)
Date: Mon Jun 18 2007 - 00:35:39 CDT

On Fri, Jun 15, 2007, Matthew Danielson wrote:

> Is there a way
> to tell the leap program not to add hydrogens to the termini when
> generating a .top file?

You need to modify the PdbResMap section of your leaprc file, to not reference
CALA, NALA, etc. I *think* you can just remove this section and it will do
what you want, but be sure to check.

...hope this helps...dac

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