[AMBER] Python Programs

From: Chase Zagorec-Marks <chasezgrcmrks.gmail.com>
Date: Mon, 9 Jan 2017 13:53:28 -0700


I was working through the tutorial on constant pH MD, and when I went to use the mdout_analyzer.py script to graph the energies of the minimization’s output file I received an error line from the cluster I was working in at the time. While I was being helped a suggestion for the Amber Developers to replace the first line in the Amber python programs from whatever you probe in the system, e.g. in our case
#!/usr/bin/env python

was put forth. If more details would be helpful I can provide the full thread of the issue and its resolution.

Chase Zagorec-Marks
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Received on Mon Jan 09 2017 - 13:00:02 PST
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