Ecosyste.ms: Issues

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GitHub / insilichem/ommprotocol issues and pull requests

#21 - fix: simtk namespace is deprecated

Pull Request - State: open - Opened by jaimergp about 2 years ago

#20 - Python incompatibilities found

Issue - State: open - Opened by lalcot over 2 years ago - 1 comment

#19 - Replace deprecated call to DataFrame.ix with DataFrame.iloc

Pull Request - State: closed - Opened by eljost about 3 years ago - 1 comment

#18 - ValueError: Illegal value for nonbonded method

Issue - State: closed - Opened by thewhovianwho over 3 years ago - 4 comments

#17 - Fix: particle indexes passed to addParticle

Pull Request - State: closed - Opened by aizvorski almost 4 years ago - 1 comment

#16 - Box not detected in pdb file (Charmm)

Issue - State: closed - Opened by lorenarm96 almost 4 years ago - 2 comments

#15 - CUDA error (700)

Issue - State: open - Opened by bbrouwr about 5 years ago - 3 comments

#14 - ci: use new conda activation procedure

Pull Request - State: closed - Opened by jaimergp about 5 years ago

#13 - Random Velocities

Issue - State: closed - Opened by lorenarm96 about 5 years ago - 8 comments
Labels: bug

#12 - AttributeError while trying to run a simulation of a metalloprotein

Issue - State: open - Opened by lvelasco022 about 5 years ago - 1 comment

#11 - Provide complete examples and tutorials

Issue - State: open - Opened by jaimergp over 6 years ago - 3 comments
Labels: help wanted

#10 - Automatic restart of simulation

Issue - State: open - Opened by ajasja over 6 years ago - 3 comments

#9 - Windows support

Issue - State: closed - Opened by ajasja over 6 years ago - 11 comments

#8 - Error in using restraints?

Issue - State: closed - Opened by HWaymentSteele about 7 years ago - 4 comments

#7 - Use Jinja to handle simple Python expressions in YAML input files

Issue - State: closed - Opened by jaimergp about 7 years ago - 2 comments

#6 - Fix: Prevent timedelta/int errors in some Py2x versions

Pull Request - State: closed - Opened by jaimergp over 7 years ago

#5 - unsupported operand type(s) for /: 'datetime.timedelta' and 'int'

Issue - State: closed - Opened by danielSoler93 over 7 years ago - 7 comments

#4 - Flush

Issue - State: closed - Opened by danielSoler93 over 7 years ago - 2 comments

#3 - Choosing a platform is not possible

Issue - State: closed - Opened by jaimergp almost 8 years ago - 1 comment

#2 - Handling some Ctrl+C interruptions results in SystemError

Issue - State: open - Opened by jaimergp about 8 years ago

#1 - Periodic boundary conditions applied even if not requested

Issue - State: closed - Opened by jaimergp about 8 years ago - 1 comment