Dear David,
I tried to let ew_type=1, while still I got different result.
BTW, is the adjust sum electrostatic in forcedump.dat an adjustment for
cutoff correction?
2016-05-02 19:52 GMT+08:00 David A Case <david.case.rutgers.edu>:
> On Mon, May 02, 2016, Zhenyu Meng wrote:
>
> > Is there anyone knowing how to set the parameter to do a normal Ewald
> > summation, instead of PME?
>
> Use the ew_type variable.
>
> ....dac
>
>
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--
Sincerely,
Mr. Meng Zhenyu
Division of Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University
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Received on Tue May 03 2016 - 05:00:03 PDT
