|
Test 1: GmxapiExternalInterfaceTests FAILING on 22.6, 23.5 and 24.4
|
|
8
|
71
|
April 11, 2025
|
|
How to connect the pip install with the location of GROMACS installation in PowerShell on windows 11
|
|
2
|
365
|
September 28, 2023
|
|
API NBLIB compilation problem
|
|
0
|
354
|
August 29, 2023
|
|
Reading the output of gmx.commandline_operation with a KeyError
|
|
1
|
421
|
July 14, 2023
|
|
Granular system editing with GMXAPI
|
|
3
|
220
|
May 11, 2023
|
|
Gmxapi RuntimeError: solvate failed in spc_water_box testing fixture
|
|
18
|
671
|
April 10, 2023
|
|
Announcing gmxapi 0.2 Python package
|
|
7
|
1047
|
March 10, 2023
|
|
Spack py-gmxapi
|
|
0
|
296
|
March 2, 2023
|
|
Mpiexec error during make check for gmx_mpi
|
|
1
|
558
|
December 2, 2022
|
|
Gmxapi gromacs 2022 error
|
|
8
|
2396
|
October 19, 2022
|
|
Implementation of custom external field
|
|
3
|
563
|
September 19, 2022
|
|
Problem building gmxapi Python package
|
|
5
|
1579
|
July 7, 2022
|
|
Python gmxapi.error
|
|
8
|
1012
|
July 5, 2022
|
|
The tutorial of gmxapi with cpp version
|
|
6
|
921
|
May 30, 2022
|
|
Running gromacs with python
|
|
4
|
1406
|
June 3, 2021
|
|
Bug in the python code?
|
|
3
|
497
|
November 19, 2020
|