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This is part of my bash script to run a test with pyGCMC:
pygcmc=/home/jihyeon/programs/miniconda3/bin/pygcmc
$pygcmc -w -p solution.1.pdb -t solution.1.top -o output.txt -u -5.6,-837.38,30.51,-81.26 -f 20467,1,121,81 -n 20000 -m 0.1,0.45,0.45,0.0
And I received following error message:
Start GCMC simulation at 2025-08-22 12:46:57...
usage: pygcmc [-h] -p file.pdb [-t file.top] [-s file.psf] [-o file.txt] [-u muex1,muex2,...] [-f conf1,conf2,... or conf] [-n mcsteps] [-m mctime1,mctime2,...]
[-c conc1,conc2,...] [-y cavity_bias_dx] [-e seed] [-P] [-w]
pygcmc: error: argument -u/--fragmuex: expected one argument
Could you please help me with this? I've attached my working directory.
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