Re: [AMBER] No solvent overlap

From: Thomas Exner <>
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?


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