Re: [AMBER] MMPBSA.py.MPI

From: George Tzotzos <gtzotzos.me.com>
Date: Sat, 16 May 2015 20:31:56 +0200

Jason,

Clearly understood. Many thanks.

George

> On 16 May 2015, at 18:30, Jason Swails <jason.swails.gmail.com> wrote:
>
> On Sat, May 16, 2015 at 9:05 AM, George Tzotzos <gtzotzos.me.com> wrote:
>
>> Thank you Jason,
>>
>> I’ll try what you suggested. I have one question.
>>
>> The installation of Python 2.7 via MacPorts will place it in
>> /opt/local/bin.
>> Should I remove then the native MacOS installations in /usr/bin (i.e.
>> python2.6, python2.7)?
>>
>
> ​No no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​ no​
> :). You will break your operating system. *never* delete a system Python
> (Windows doesn't have one, but all Linux and Mac ones do), since you have
> no idea what system-critical programs depend on it. For instance, I think
> a lot of package managers are either written entirely in Python or have
> critical components written in Python.
>
> ​​
>> Wouldn’t there be conflicts having python installed in two different
>> directories?
>>
>
> ​No. In fact, I have probably over a dozen different Python interpreters
> on my computer with different versions and installed packages.​
>
> And a trivial one just to satisfy my curiosity.
>> How come that I did not encounter this problem in the amber parallel
>> installation on the Mac Pro?
>>
>
> ​I couldn't tell you without poking around the computer myself. It could
> be that you already had a /opt/local/bin/python. It could be that your Mac
> Pro runs OS X Server and only builds x86_64-compatible binaries... who
> knows.
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Sat May 16 2015 - 12:00:02 PDT
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