On Sun, Nov 25, 2018, jacky zhao wrote:
>Hi everyone,
> I am using Amber18 for simulation. Recently, we have reinstalled the
> Amber18.
The simplest explanation for you error is that you have failed to source
the $AMBERHOME/amber.sh script, so that your PYTHONPATH is not correctly
set.
If that doesn't help, try this:
What options did you choose upon this installation? It looks you are
using the "system" python (in /usr/lib/python2.7/); is that correct?
If so, can you try a reinstallation allowing the configure script to
download miniconda? Don't forget to source the amber.sh script once the
configuration is done. After rebuilding, /home/mydata/opt/amber18/bin/parmed
should be looking in /home/mydata/opt/amber18/miniconda (and not in
/usr/lib) to find its components.
....dac
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Received on Sun Nov 25 2018 - 12:30:03 PST
