Comments (5)
It looks like you haven't installed APBS yet: https://www.poissonboltzmann.org/
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from seekr2.
Are you sure that you've installed Browndye2, not Browndye? You need to also have your path variable containing the Browndye2 bin/ directory, so that you can run the program "make_apbs_input" from your path.
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from seekr2.
Glad it worked.
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Related Issues (20)
- presimulation check failures and Model Input File HOT 12
- attribute error in analyze.py HOT 3
- query about tutorial simulation time trypsin-benzamidine HOT 9
- Importance of Target vulnerability for binding kinetics HOT 3
- Non-Uniform Discretization HOT 10
- unable to locate trypsin-benzamidine tutorial page HOT 3
- Convergence Check HOT 36
- error while generating trypsin-benzamidine smd input for hidr HOT 6
- assumptions related to milestoning size/shape interactions in MD region HOT 8
- seekr2 testing error on HPC HOT 16
- BD or MD first with run.py any HOT 25
- error at the convergence step HOT 7
- error in prepare step due to ambpdb output HOT 1
- installing seekr2 on HPC via user account HOT 24
- converge step failure HOT 12
- Build Seekr2 Plugin from source fails HOT 3
- error setting up seekr2 calculation with Heme protein HOT 13
- warnings in prepare.py step HOT 1
- Import Error During Installation HOT 2
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