FEP scripts

Example set up scripts for free energy calculations with SOMD

Name		Name	Last commit message	Last commit date
Latest commit History 7 Commits
Parameters		Parameters
1_Protein-prep.sh		1_Protein-prep.sh
2_Lig_param.sh		2_Lig_param.sh
3_Lig_Sov_eq.sh		3_Lig_Sov_eq.sh
4_Com_Sov_eq.sh		4_Com_Sov_eq.sh
5_Ligand_perturbation.sh		5_Ligand_perturbation.sh
6_Complex_perturbation.sh		6_Complex_perturbation.sh
7_ligand_lambdarun.sh		7_ligand_lambdarun.sh
8_complex_lambdarun.sh		8_complex_lambdarun.sh
FEP_run.ipynb		FEP_run.ipynb
README.md		README.md
pertlist		pertlist

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