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mj-harvey/gaamp-local
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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
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