the error is clear, right ?
Error: Same pH (5.9) found twice!
On 2/20/24 5:16 AM, Dulal Mondal via AMBER wrote:
> [External Email]
>
> Dear Experts,
> I run the constant pH remd with 10 replicas from pH 5.5 to 6.4 with 0.1 pH
> gap. I type the following command
> *cphstats --fix-remd prod001 ../001/cpout.rep.001 ../002/cpout.rep.001
> ../003/cpout.rep.001 ../004/cpout.rep.001 ../005/cpout.rep.001
> ../006/cpout.rep.001 ../007/cpout.rep.001 ../008/cpout.rep.001
> ../009/cpout.rep.001 ../010/cpout.rep.001*
> But it show the following error message.
> Error: Same pH (5.9) found twice!
> Thanking You
> --
> *With regards,*
> *Dulal Mondal,*
> *Research Scholar,*
> *Department of Chemistry,*
> *IIT Kharagpur, Kharagpur 721302.*
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--
Dr. Adrian E. Roitberg
V.T. and Louise Jackson Professor in Chemistry
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Tue Feb 20 2024 - 08:00:02 PST
