[gmx-users] how can i use acpype

Yaser Hosseini yaser.hosseini.biologist at gmail.com
Thu Dec 18 15:40:20 CET 2014


i want use the amber force field and its need acpype but i got error :

acpype -i ref-ligandChimera.mol2 -c user
| ACPYPE: AnteChamber PYthon Parser interfacE v. 2014-08-27 18:33:08Z Rev:
7828 (c) 2014 AWSdS |
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
i install acpype but i tried to install  AnteChamber but i cant is anyone
know how can i install it .

thank you

More information about the gromacs.org_gmx-users mailing list