Re: [AMBER] CHAMBER prmtop

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 1 Mar 2011 19:51:11 -0800

> ERROR: Flag "TITLE" not found in PARM file
> any workaround for this?

Maybe add a title in the prmtop using a text editor and deductive
skills. Other missing flags might be more problematic to simulate,
but title should be easy.

Bill

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Received on Tue Mar 01 2011 - 20:00:04 PST
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