Re: [AMBER] Centering a multimeric protein with solvateOct

From: Jonathan Sheehan <jonathan.sheehan.gmail.com>
Date: Sat, 6 Oct 2012 20:07:47 -0500

On Sat, Oct 6, 2012 at 5:09 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> I didn't test solvateOct with large multimeric systems when developing
> it, and no longer work on the code. One thing that might be interesting
> to try would be to bond all the monomers before solvateOct, then if
> successful delete the bonds. Long bonds would be easier to see after
> solvation.

I hadn't thought of bonding them together- I'll give it a try.

Thanks for the suggestion!
-Jonathan

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Received on Sat Oct 06 2012 - 18:30:03 PDT
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