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- Thu Nov 27, 2014 11:04 pm
- Forum: OpenMM
- Topic: Constraints in RPMD Integrator
- Replies: 4
- Views: 861
Re: Constraints in RPMD Integrator
It is definitely not that this is not do-able (we have been doing PIMD/RPMD with constraints for the last decade and it has been done before that). The main thing is that it was not a priority in the initial implementation. One could add it to the feature requests for the RPMD/PIMD integrator.