AMBER Archive (2003)

Subject: Re: AMBER: polarizability and PME

From: David A. Case (case_at_scripps.edu)
Date: Sat Sep 27 2003 - 11:17:46 CDT

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_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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