Re: [AMBER] AmberTools 13 igb=8 CalcError: $AMBERHOME/bin/mmpbsa_py_energy failed with prmtop complex.top!

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 5 Jun 2013 14:26:55 -0400

On Wed, Jun 5, 2013 at 2:03 PM, <psu4.uic.edu> wrote:

> Dear Hai and Jason,
>
> Thanks for the prompt reply. After applying the latest bug fix,
>
> login1$ $AMBERHOME/update_amber --update
>
> login1$ $AMBERHOME/update_amber --version
>

You need to reinstall after doing this. Typically you can just let
configure update your source code for you.

All update_amber does is patch the source code with the latest updates.
 You need to compile in order to have the changes take effect.

For Python programs, which are technically interpreted and not compiled,
the source code inside the AmberTools/src directory is processed with the
interpreter found at configure time and then copied into the bin directory,
so there is still a necessary 'installation' step that you must do any time
the source code is changed.

HTH,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Jun 05 2013 - 11:30:04 PDT
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