Re: [AMBER] problem reading CHARMM lipid parameters into chamber

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 21 Feb 2013 07:25:47 -0500

On Wed, Feb 20, 2013 at 11:49 PM, BERGY <nucleic81.gmail.com> wrote:

> Hi Sally,
> Pls check if the file has some tabs in it. i had a similar problem. had to
> replace the tabs with space in the prm files
>

Ah. I see that, indeed, tabs would cause an issue like this. If you still
have one of those PSFs with tabs around, can you try this patch to see if
it fixes that behavior?

You can apply it by going to AMBERHOME and typing:

patch -p0 -N < chamber.patch

Then you'll have to re-compile chamber (which you can do rapidly by going
to $AMBERHOME/AmberTools/src/chamber and typing "make install".

Thanks!
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032



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Received on Thu Feb 21 2013 - 04:30:02 PST
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