added break condition for number of retries exceeding 5

prody / coMD

This package runs collective molecular dynamics simulations, where collective motions from anisotropic network model normal mode analysis drive all-atom dynamics through targeted molecular dynamics simulations and energy minimization

http://prody.csb.pitt.edu/comd/

MIT License

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added break condition for number of retries exceeding 5 #73

Closed jamesmkrieger closed 4 years ago

jamesmkrieger commented 4 years ago

Otherwise if something is very wrong, CoMD gets stuck in an endless loop.