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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Received on Tue Feb 20 2024 - 02:30:02 PST
