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by Jeff Kinnison
Wed Mar 30, 2016 3:40 pm
Forum: OpenMM
Topic: Not using checkpoint files correctly(?)
Replies: 16
Views: 2825

Re: Not using checkpoint files correctly(?)

I know this is an old thread, but I thought I'd post my solution since it doesn't seem like one was ever found.

This works with Python 3.4.4 and OpenMM 6.3.1 through Anaconda 2.3

Code: Select all

with open(checkpoint_file, 'rb') as f:
    simulation.context.loadCheckpoint(f.read().decode('utf8', 'ignore'))