https://bitbucket.org/mirnylab/openmm-polymer
Tip revision: dc4ec46508a2581026d123ca48d5dc0a9bc38ca3 authored by mimakaev on 09 September 2019, 19:58:51 UTC
bugfix in energy minimization
bugfix in energy minimization
Tip revision: dc4ec46
| File | Mode | Size |
|---|---|---|
| _openmmlib_doc | ||
| knots | ||
| knots128 | ||
| qcpSource | ||
| Reduce_knot20 | -rwxr-xr-x | 232.2 KB |
| Reduce_knot20_x86 | -rwxr-xr-x | 38.0 KB |
| TestCpuNeighborList | -rwxr-xr-x | 19.1 KB |
| __init__.py | -rwxr-xr-x | 0 bytes |
| contactmapManager.py | -rwxr-xr-x | 19.5 KB |
| contactmaps.py | -rwxr-xr-x | 20.5 KB |
| cpolymerCython.pxd | -rwxr-xr-x | 157 bytes |
| fastContacts.cpp | -rwxr-xr-x | 284.8 KB |
| fastContacts.h | -rwxr-xr-x | 664 bytes |
| fastContacts.pyx | -rwxr-xr-x | 1.7 KB |
| fastContacts_api.h | -rwxr-xr-x | 3.0 KB |
| getCpuNeighborList.README | -rwxr-xr-x | 808 bytes |
| getCpuNeighborList.cpp | -rwxr-xr-x | 3.1 KB |
| getCpuNeighborList6.0 | -rwxr-xr-x | 19.3 KB |
| getCpuNeighborList6.1 | -rwxr-xr-x | 19.4 KB |
| getCpuNeighborList6.2 | -rwxr-xr-x | 19.4 KB |
| getCpuNeighborList6.3 | -rwxr-xr-x | 19.4 KB |
| getCpuNeighborList6.3.cpp | -rwxr-xr-x | 3.2 KB |
| installpymol.sh | -rwxr-xr-x | 4.0 KB |
| knotAnalysis.py | -rwxr-xr-x | 8.0 KB |
| openmmlib.py | -rwxr-xr-x | 98.7 KB |
| polymerCython.pyx | -rwxr-xr-x | 1.9 KB |
| polymerScalings.py | -rwxr-xr-x | 15.9 KB |
| polymerutils.py | -rwxr-xr-x | 42.3 KB |
| pymol_show.py | -rwxr-xr-x | 23.5 KB |
| qcprot.c | -rwxr-xr-x | 13.6 KB |
| qcprot.h | -rwxr-xr-x | 6.2 KB |
| qcprot.o | -rwxr-xr-x | 14.8 KB |
