How to Install   How to use
Li-GRO program merges the protein and the ligand topologies simply and easily through a python based GUI combined with ACPYPE (a powerful tool for generate small molecules topologies) and Pdb2gmx-GROMACS. In addition, Li-GRO is able to make several Protein-Ligand studies using GROMACS analysis package and PLIP.

This software is available to you under the terms of the GPL-3. See ~/ligro/LICENCE for more informations.
Software is created and maintained by Laboratorio de Sintese Organica Medicinal-LaSOM at Universidade Federal do Rio Grande do Sul.
Contributors:
Luciano Porto Kagami
luciano_dot_kagami_at_ufrgs_dot_br
Universidade Federal do Rio Grande do Sul
Laboratorio de Sintese Organica Medicinal -LaSOM
Av. Ipiranga, 2752 - Azenha, Porto Alegre - RS, 90610-000 - Brazil

For Antechamber, please cite:

1. Wang, J., Wang, W., Kollman P. A.; Case, D. A. "Automatic atom type and bond type perception in molecular mechanical calculations". Journal of Molecular Graphics and Modelling , 25, 2006, 247260.
2. Wang, J., Wolf, R. M.; Caldwell, J. W.; Kollman, P. A.; Case, D. A. "Development and testing of a general AMBER force field". Journal of Computational Chemistry, 25, 2004, 1157-1174.

For ACPYPE, please cite:

SOUSA DA SILVA, A. W. & VRANKEN, W. F.
ACPYPE - AnteChamber PYthon Parser interfacE.
BMC Research Notes 2012, 5:367 doi:10.1186/1756-0500-5-367
http://www.biomedcentral.com/1756-0500/5/367
Alan Wilter Sousa da Silva, D.Sc.
Bioinformatician, UniProt, EMBL-EBI
Hinxton, Cambridge CB10 1SD, UK.
>>http://www.ebi.ac.uk/~awilter alanwilter _at_ gmail _dot_ com

For PLIP please cite:

1. Salentin,S. et al. PLIP: fully automated protein-ligand interaction profiler. Nucl. Acids Res. (1 July 2015) 43 (W1):
W443-W447. doi: 10.1093/nar/gkv315

For GROMACS please cite:
Abraham, M. J., Murtola, T., Schulz, R., Páll, S., Smith, J. C., Hess, B., & Lindahl, E. (2015).
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers.
SoftwareX, 1, 19-25.

For Pymol please cite:

Schrödinger, L. L. C. (2017). The PyMOL molecular graphics system, Version 1.8. 2015.
For this code plese cite:

Kagami, L. P., das Neves, G. M., da Silva, A. W. S., Caceres, R. A., Kawano, D. F., & Eifler-Lima, V. L. (2017).
LiGRO: a graphical user interface for protein–ligand molecular dynamics.
Journal of molecular modeling, 23(11), 304.