Did you do this: ?
Please make sure you
have sourced /usr/local/amber16/amber.sh (if you are using sh/ksh/bash/zsh)
or /usr/local/amber16/amber.csh (if you are using csh/tcsh)
adrian
On 9/21/17 3:45 PM, Pacheco, Sayuri wrote:
> Hello,
> I'm trying to run a constant pH MD simulation in explicit solvent and in
> order to prepare a modified prmtop file, the amber17 says to use a python
> script. The python script is $cpinutil.py -igb 2 -resnames AS4 GL4 -p
> <tleap_prmtop> \ -op <new_radii.prmtop>. This is the error that I'm getting.
>
> cpinutil.py -igb 2 -resnames AS4 GL4 -p tassmod4_pH7.prmtop -op
> raddi_tassmod4_pH7.prmtop
>
> Traceback (most recent call last):
>
> File "/usr/local/amber16/bin/cpinutil.py", line 24, in <module>
>
> (amberhome, amberhome))
>
> ImportError: Could not import Amber Python modules. Please make sure you
> have sourced /usr/local/amber16/amber.sh (if you are using sh/ksh/bash/zsh)
> or /usr/local/amber16/amber.csh (if you are using csh/tcsh)
>
>
> Thank you,
>
> Sayuri
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Thu Sep 21 2017 - 13:30:04 PDT
