CisnerosResearch/GEM_fit

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Fortran
License
GNU General Publi...
Created about 6 years ago
Updated over 2 years ago

CisnerosResearch/GEM_fit

CisnerosResearch

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Program to calculate GEM Hermites and multipoles with either a numerical or analytical fit from a Gaussian formatted checkpoint file.

LICHEM

This package is an open-source (GPLv3) interface between QM and MM software so that QM/MM calculations can be performed with polarizable and frozen electron density force fields. Functionality is also present for standard point-charge based force fields, pure MM, and pure QM calculations.

AMBER-EDA

A program for energy decomposition analysis of AMBER MD simulations.