1) About
GAAMP - General Automated Atomic Model Parameterization
This program is designed to parameterize molecules for
CHARMM additive and Drude oscillator force fields
The server version: http://gaamp.lcrc.anl.gov/
Please see references for further informations.
2) Install
You must give PATHS to third party softwares in opt/PATHS
use install.sh
3) Run
Call script/gaamp yourinput.inp
Do not give any input to print options
Default values are in script/defaults
Don't forget to check examples
4) Contacts
Benoit Roux roux@uchicago.edu
Eliot Boulanger eliotb@uchicago.edu
5) References
Huang L., Roux B., J. Chem. Theory Comput. 2013, 9, 3543-3556