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2780
GROMACS
Feature
Closed
Normal
Add documentation for MiMiC QM/MM interface
Viacheslav Bolnykh
11/29/2018 10:43 AM
GROMACS - 2019-rc1
2753
GROMACS
Bug
Closed
Normal
Segmentation fault in MiMiC parallel runs with Intel MPI
Viacheslav Bolnykh
11/15/2018 02:04 PM
GROMACS - 2019
2309
GROMACS
Feature
Closed
Normal
Implement MiMiC QM/MM workflow in the GROMACS core
Viacheslav Bolnykh
10/15/2018 05:15 PM
GROMACS - 2019
2308
GROMACS
Feature
Closed
Normal
Implement QM/MM updates in GROMACS preprocessor
Viacheslav Bolnykh
10/12/2018 02:36 PM
GROMACS - 2019
2307
GROMACS
Feature
Closed
Normal
Implement MiMiC-based QM/MM functionality in GROMACS
Viacheslav Bolnykh
12/03/2018 03:54 PM
GROMACS - 2019
2306
GROMACS
Bug
Closed
Normal
PME test failing
Aleksei Iupinov
12/11/2017 12:09 PM
2305
GROMACS
Feature
Closed
Normal
Switch to dynamic number of groups in .tpr file
Viacheslav Bolnykh
01/03/2018 05:59 PM
GROMACS - 2019
(1-7/7)
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