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Predict LJSF-C2-s3.730e119 using 9 reference simulations (Ns=1000) #4

Open mostafa-razavi opened 4 years ago

mostafa-razavi commented 4 years ago

Command: bash ~/Git/RunNohup/RunNohup.sh "bash ~/Git/TranSFF/Scripts/GOMC_ITIC_MBAR.sh 's3.650e117 s3.675e117 s3.700e117 s3.725e117 s3.750e117 s3.775e117 s3.800e117 s3.825e117 s3.850e117' s3.730e119.par 1000 24 ~/Git/GOMC/GOMC-FSHIFT2-HighPrecisionPDB-StartFrame/bin/GOMC_CPU_NVT"

Address: sftp://mostafa@10.18.28.235/home/mostafa/myProjects/GOMC/MBAR/C2_LJSF_MBAR

Reference simulations: s3.650e117 s3.675e117 s3.700e117 s3.725e117 s3.750e117 s3.775e117 s3.800e117 s3.825e117 s3.850e117

N=1000

Computer: chem20 Directory: /home/mostafa/myProjects/GOMC/MBAR/C2_LJSF_MBAR Duration: 00 days, 16 hr, 37 min, 33 sec

mostafa-razavi commented 4 years ago

Comparison between MBAR and SIM (Cassandra)

LJSF-C2-s3.730e119-prediction-test-using-9-ref-sim.xlsx

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