Re: [AMBER] Amber heme parameters

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Wed, 13 Oct 2010 10:22:10 -0700

> Loading parameters: ./frcmod.hemuni
> Reading force field modification type file (frcmod)
> Reading title:
> MASS
> Unknown keyword: NP 14.01

Evidently the frcmod is expected to have a title line, which is
missing, so MASS is taken to be the title, and the mass lines
are rejected for not being a keyword.

Add a title line to the beginning of ./frcmod.hemuni

Bill


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Received on Wed Oct 13 2010 - 10:30:05 PDT
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