Re: AMBER: polarizability and PME

From: David A. Case <case.scripps.edu>
Date: Sat, 27 Sep 2003 09:17:46 -0700

On Sat, Sep 27, 2003, Martin Mucha wrote:
>
> amber7 manual says on page 102 that polarizability works only with
> regular Ewald, not with PME. Is it true?
> But still, it is possible to run PME (ew_type=0) even if ipol=1.
> The simulation seems to be working. Is the manual wrong?

The manual is wrong...thanks for pointing this out. Polarizable potentials
are fine with PME.

...dac 

-- 
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David A. Case                     |  e-mail:      case.scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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Received on Sat Sep 27 2003 - 17:53:01 PDT
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