insilichem ommprotocol issues

insilichem / ommprotocol

A command line application to launch molecular dynamics simulations with OpenMM

http://ommprotocol.readthedocs.io

GNU Lesser General Public License v3.0

39 stars 8 forks source link

issues

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TypeError: unsupported operand type(s) for +: 'int' and 'Timedelta'

#23 AliothYh opened 4 months ago
0
Dependency on the Anaconda-specific, non-upstream ruamel_yaml variant

#22 mbargull opened 11 months ago
0
fix: simtk namespace is deprecated

#21 jaimergp opened 2 years ago
0
Python incompatibilities found

#20 lalcot opened 2 years ago
1
Replace deprecated call to DataFrame.ix with DataFrame.iloc

#19 eljost closed 3 years ago
1
ValueError: Illegal value for nonbonded method

#18 thewhovianwho closed 3 years ago
4
Fix: particle indexes passed to addParticle

#17 aizvorski closed 3 years ago
1
Box not detected in pdb file (Charmm)

#16 Lrolmar closed 4 years ago
2
CUDA error (700)

#15 bbrouwr opened 5 years ago
3
ci: use new conda activation procedure

#14 jaimergp closed 5 years ago
0
Random Velocities

#13 Lrolmar closed 5 years ago
8
AttributeError while trying to run a simulation of a metalloprotein

#12 lvelasco022 opened 5 years ago
1
Provide complete examples and tutorials

#11 jaimergp opened 6 years ago
3
Automatic restart of simulation

#10 ajasja opened 6 years ago
3
Windows support

#9 ajasja closed 6 years ago
11
Error in using restraints?

#8 HWaymentSteele closed 7 years ago
4
Use Jinja to handle simple Python expressions in YAML input files

#7 jaimergp closed 6 years ago
2
Fix: Prevent timedelta/int errors in some Py2x versions

#6 jaimergp closed 7 years ago
0
unsupported operand type(s) for /: 'datetime.timedelta' and 'int'

#5 danielSoler93 closed 7 years ago
7
Flush

#4 danielSoler93 closed 7 years ago
2
Choosing a platform is not possible

#3 jaimergp closed 7 years ago
1
Handling some Ctrl+C interruptions results in SystemError

#2 jaimergp opened 8 years ago
0
Periodic boundary conditions applied even if not requested

#1 jaimergp closed 8 years ago
1