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MD-Studio
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cerise-mdstudio-das5
A specialisation of cerise for MDStudio and DAS5
Apache License 2.0
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use cwltool interpreter to run the workflows
#19
felipeZ
closed
6 years ago
0
DAS5 update
#18
felipeZ
closed
6 years ago
5
shared the installation script to avoid duplication
#17
felipeZ
closed
6 years ago
0
Share
#16
felipeZ
closed
6 years ago
0
Lie
#15
felipeZ
closed
6 years ago
0
Update configuration to new Cerise config format
#14
LourensVeen
closed
6 years ago
0
added LIE flag to gromit
#13
felipeZ
closed
6 years ago
0
Conda
#12
felipeZ
closed
6 years ago
0
install python dependecies inside cerise folder
#11
felipeZ
closed
6 years ago
1
Energy step fails due to too old numpy
#10
LourensVeen
closed
6 years ago
1
cwltools
#9
felipeZ
opened
6 years ago
2
add get energy script
#8
felipeZ
opened
6 years ago
2
Added an include input entry
#7
felipeZ
closed
6 years ago
0
energy output not it remote
#6
felipeZ
closed
6 years ago
1
Example outdated
#5
LourensVeen
closed
6 years ago
2
Gromacs Error
#4
felipeZ
closed
6 years ago
4
service not found
#3
felipeZ
closed
6 years ago
2
More parameters fro gromacs-LIE simulations
#2
felipeZ
opened
6 years ago
1
ServiceAlreadyExists exception raises when trying to reconnect service
#1
felipeZ
closed
6 years ago
1