mdrun-crash
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| No reference data for first slab (n=-2147483648) while using enforced rotation |
|
3 | 226 | June 26, 2024 |
| MDRUN crash during gREST simulation under NVT ensemble |
|
1 | 370 | June 26, 2023 |
| Mdrun Instability with deprotonated ARG topology with CHARMM36 |
|
0 | 305 | January 12, 2023 |
| System blowing up in decoupled ligand (in protein complex) simulation for ABFE calculations |
|
9 | 1151 | October 11, 2022 |
| Fatal error: Setting the number of thread-MPI ranks is only supported with thread-MPI and GRO |
|
0 | 1641 | July 22, 2022 |
| Issue with segmentation fault |
|
0 | 1328 | February 15, 2022 |
| Error: X particles communicated to PME rank N |
|
1 | 441 | November 16, 2021 |
| Continuing simulation with cpt file after a crash |
|
2 | 882 | June 26, 2021 |
| Error after restarting: particles communicated to PME rank 0 are more than 2/3 times the cut-off |
|
0 | 607 | May 27, 2021 |