search

MD-Studio / cerise-mdstudio-das5

A specialisation of cerise for MDStudio and DAS5
Apache License 2.0
0 stars 0 forks source link

add get energy script #8

Open felipeZ opened 6 years ago

felipeZ commented 6 years ago

Once the gromit script finishes we want to collect the energies using the getEnergies script. It would be great if you wan include the getEnergies script into the specialization.

LourensVeen commented 6 years ago

Hold on, shouldn't this be a separate step?

felipeZ commented 6 years ago

I will add another CWL step