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dptech-corp
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Uni-GBSA
An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.
Apache License 2.0
75
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20
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Fix sqm thread bug and some little bugs
#3
Closed
Aunity
closed
2 years ago
Aunity
commented
2 years ago
acpype:sqm
now can be controled by
OMP_NUM_THREADS
fix
hmtpbsa-pipeline
configure file bug
fix md simulation parameter
endx
bug
acpype:sqm
now can be controled byOMP_NUM_THREADS
hmtpbsa-pipeline
configure file bugendx
bug