[gmx-users] acpype

farial tavakoli farial.tavakoli at ymail.com
Wed Oct 24 15:57:57 CEST 2018

Dear Justin
I installed acpype on the ubuntu but didnt install Antechamber and openbable . Now I am trying to convert the AMBER parameters format (obtained from http://sites.pharmacy.manchester.ac.uk/bryce/amber  ) to the one that gromacs is compatible with in the .rtp files. I pasted acpype.py in the directory that I am working and issued this command:
python acpype.py -i XXX.pdb 
but faced to this error:
ERROR: no 'antechamber' executable!
ERROR: no 'antechamber' executable... aborting ! 
==> HINT1: is 'AMBERHOME' or 'ACHOME' environment variable set?
==> HINT2: is 'antechamber' in your $PATH?
    What 'which antechamber' in your terminal says?
    'alias' doesn't work for ACPYPE.
Total time of execution: less than a second

while I read in the readme.txt file of acpype and in google that ' However, if one wants *acpype* just to emulate *amb2gmx.pl*, one needs nothing at all but *[http://www.python.org Python]*.'  or  'ACPYPE is far better than amb2gmx.pl and won't even need AmberTools if you
just want to covert Amber topology to GMX'.
 I can not understand where the problem is? 
I would be appreciated it if you help me
thanks in advanceFarial


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