If TopologyReader is given a topology file that provides a PDB file for each domain but does not define any rigid bodies (or super/chain of rigid bodies) MonteCarlo will fail with the error
_IMP_kernel.UsageException: Usage check failure: There must be some particle tuples passed
This is because no movers are defined for such a system by the DegreesOfFreedom class (it only provides movers for flexible BEADS domains). We should fix this by providing similar movers for PDB (or ideal helix) domains too (perhaps with a warning that the movers will probably make the starting structure less-ideal).
If
TopologyReaderis given a topology file that provides a PDB file for each domain but does not define any rigid bodies (or super/chain of rigid bodies) MonteCarlo will fail with the errorThis is because no movers are defined for such a system by the
DegreesOfFreedomclass (it only provides movers for flexibleBEADSdomains). We should fix this by providing similar movers for PDB (or ideal helix) domains too (perhaps with a warning that the movers will probably make the starting structure less-ideal).