├── CONTRIBUTING ├── COPYING ├── Makefile ├── README ├── ROADMAP ├── examples ├── 2+1 │ ├── 2+1_hibias_target-adapted.lsarg │ ├── 2+1_hibias_uniform.lsarg │ ├── README │ └── generate_3x3.awk ├── README ├── illcond │ ├── README │ ├── generate_illcond.awk │ ├── illcond.gpt │ ├── illcond.lsarg.template │ └── multifit.sh ├── nesm │ ├── README │ ├── equal.w │ ├── nesm.groups │ ├── nesm_all.lsarg │ ├── scan_nesm.ccn │ ├── scan_nesm.ccnh21 │ ├── scan_nesm.ccns │ ├── scan_nesm.cn │ ├── scan_nesm.cnh21 │ ├── scan_nesm.cns │ ├── scan_nesm.cnso11 │ ├── scan_nesm.cnso12 │ ├── scan_nesm.cnso13 │ ├── scan_nesm.h31cn │ ├── scan_nesm.h32cn │ ├── scan_nesm.mme │ └── scan_nesm.qme ├── sulfaz │ ├── README │ ├── charmmout │ │ ├── generate_template.out │ │ └── sulfaz_template.crd │ ├── fit_dih │ │ ├── allscan.inp │ │ ├── charmmout.tgz │ │ ├── initialize │ │ └── sulfaz_all.lsarg │ ├── generate_template.inp │ ├── scandih │ │ ├── sulfaz_scan.gjf │ │ └── sulfaz_scan.log │ └── toppar │ │ ├── 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