enable xtc writeout - Githubissues

smog-server / OpenSMOG

OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.

MIT License

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enable xtc writeout #46

Closed Whitford closed 2 years ago

Whitford commented 2 years ago

This is not urgent, but it would be a very nice feature. I know it would require mdtraj, and some care would be required. But, it is something we should discuss and possibly implement.

Whitford commented 2 years ago

thanks esteban