Re: [AMBER] No solvent overlap

From: Thomas Exner <thomas.exner.uni-konstanz.de>
Date: Sat, 10 Jul 2010 09:23:01 +0200

Dear Bill:

First, thank you for your help.
>
> It is odd that you are adding 12A of water before addIons, in
> which case one would expect the ions to replace waters. I wonder
> if the code has been changed.
>
And then: I am not sure if I understand you correctly. Is it odd to add
the water first? What is the normal procedure? Or do you mean the fact
that the ions don't replace water molecules?

Thanks.
Thomas


> Bill
>
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-- 
________________________________________________________________________________
Dr. Thomas E. Exner
Juniorprofessur "Theoretische Chemische Dynamik"
Fachbereich Chemie
Universität Konstanz
78457 Konstanz
Tel.: +49-(0)7531-882015
Fax:  +49-(0)7531-883587
Email: thomas.exner.uni-konstanz.de
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Received on Sat Jul 10 2010 - 00:30:04 PDT