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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Received on Thu Sep 21 2017 - 13:00:04 PDT
