Comments (1)
I made a mistake in my virtualenvironments at work and I was using an outdated version of MDA which was directing me to outdated documentation. My bad.
Using the latest version of MDA (2.7) and using gromacs 2023.4 solves the problem described above.
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Related Issues (12)
- VirtualSites are silently dropped from itp HOT 4
- not listed on the MDAnalysis "Used by" page HOT 1
- AttributeError: 'Namespace' object has no attribute 'gmx_cmd' HOT 3
- Extended Usage Request: Adding GROMACS angle function 10 - Restriced Bending Angle Potential HOT 1
- scg_optimize fails on WSL due to permission denied HOT 1
- Constraints optimization HOT 3
- Swarm-CG & Gromacs 2021
- [TypeError: center() got an unexpected keyword argument 'pbc'] HOT 7
- "CG ITP file constraints have been grouped, but constraints group 1 holds lines that have different parameters" HOT 1
- md run failing
- MD run failed(unstable simulation was killed, with unstable = NOT writing in log file for 60 sec)
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