Dear Experts,
I am trying to run CpHMD run in an explicit solvent in pmemd.cuda in
amber18.
I type the following command.
/home/srabani/Downloads/amber18/bin/pmemd.cuda -O -i cp_ph7.8.in -o
prod70.out -p ambercpin.prmtop -c prod69.ncrst -r prod70.ncrst -x prod70.nc
-cpin prod69.cpin -cpout prod70.cpout -cprestrt prod70.cpin
But after running, it shows the following error.
At line 167 of file constantph.F90 (unit = 23, file = 'prod69.cpin')
Fortran runtime error: Index 1 out of range for namelist variable stating
My cpin file is attached below.
Thanking You
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Sat Sep 16 2023 - 12:00:02 PDT
