Re: amber-developers: Polarizability (amber8 vs amber41)

From: David A. Case <case.scripps.edu>
Date: Wed, 19 May 2004 07:18:45 -0700

On Wed, May 19, 2004, Yong Duan wrote:
>
>
> We should be able to stay in amber8, in theory. But I just somehow can
> not have a reliable minimization with ntb=0 in amber8 (I need gas-phase
> optimization); it tries and then quits and complains ewald bomb, blah,
> blah ...

Come on, Yong. The only way things get fixed is if you give some details
about your problem, and (for example) post the input files you are using.

...thanks...dac

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Received on Wed Apr 05 2006 - 23:50:02 PDT
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