Comments (1)
I'm not familiar with that force field. I don't know of anyone who has implemented it for OpenMM. If you're interested in trying to implement it yourself, I'd be glad to offer advice.
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Related Issues (20)
- Brownian CustomIntegrator Algorithm HOT 5
- Periodic boundary conditions with DrudeForce HOT 4
- Charge flux in openmm HOT 3
- modeller.addSolvent error with residue templates and non-standard residues HOT 3
- Protein PDB File Loading Problem (ValueError: No template found for residue) HOT 1
- Massless atoms destroying/altering motion of system HOT 3
- TypeError in custom integrator despite correct type HOT 8
- No template found issue for C-terminal residues HOT 6
- Overflow in force calculation HOT 2
- problem [ virtural_site3 ] from GROMACS files HOT 7
- NaN forces with CustomCentroidBondForce as collective variable in CustomCVForce HOT 2
- Python wrapper: install in `CMAKE_INSTALL_PREFIX` HOT 6
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- OpenMMException: Particle coordinate is nan when multiple GPUs are used HOT 6
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- Interaction energy HOT 3
- big energy expression leads to wrong energies with GPU HOT 1
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