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MobleyLab / alchemical-analysis

An open tool implementing some recommended practices for analyzing alchemical free energy calculations
MIT License
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import error: no module named pymbar #115

Closed dimitrismintis closed 5 years ago

dimitrismintis commented 5 years ago

I apologize for my ignorance as am fairly new to this,

Although I have installed pymbar release via conda "conda install -c omnia pymbar" when I try to test the example to check if everything works "python2 ../../alchemical_analysis/alchemical_analysis.py -d data/3-methylindole-11steps -q xvg -p dhdl -u kJ" i was obtaining the following error "ImportError: No module named pymbar"

I then used python3 and passed the error of pymbar but got a new error regarding "SyntaxError: invalid syntax" which presumably is due to the fact that I used python3 instead.

So, my question is there any way to re-install pymbar and make it work with python2?

dimitrismintis commented 5 years ago

follow this, solves problem: https://stackoverflow.com/questions/37442494/is-it-ok-having-both-anacondas-2-7-and-3-5-installed-in-the-same-time