How to generate CHARMM force field for GROMACS using CGenFF? | ResearchGate
Frontiers | Relative binding free energy calculations with transformato: A molecular dynamics engine-independent tool
molecular dynamics - Alternative to CGenFF for generating large ligand topology - Matter Modeling Stack Exchange
Problem while generating JZ4 Topology with CGenFF - User discussions - GROMACS forums
Protein-Ligand Complex
CHARMM force field parameters for 2′-hydroxybiphenyl-2-sulfinate, 2-hydroxybiphenyl, and related analogs - ScienceDirect
Protein-ligand complex | Gromacs tutorial | CHARMM forcefield | Molecular dynamics simulation - YouTube
Problem in file (Broken structure ini.pdb) generated using CGenFF for proceeding in MD Simulation - User discussions - GROMACS forums
How to generate CHARMM force field for GROMACS using CGenFF? - ECHEMI
CHARMM-GUI PDB Manipulator: Various PDB Structural Modifications for Biomolecular Modeling and Simulation - ScienceDirect
Molefacture Plugin, Version 2.0
GitHub - jandom/paramchem: Python scrapper for paramche/cgenff server, small molecule parametrization
Department of Computational Biological Chemistry
Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules | SpringerLink
CGenFF: CHARMM General Force Field — SilcsBio User Guide
NAMD QM/MM (CGenFF) - Adrea's Notebook and Journal
How to overcome the error: "CGenFF versions are not equivalent!" in running Gromacs? | ResearchGate
FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small molecules - Kumar - 2020 - Journal of Computational Chemistry - Wiley Online Library
Supporting Information
How to generate topology of small molecules & ligands for MD Simulation? — Bioinformatics Review
Protein-ligand complex | Gromacs tutorial | CHARMM forcefield | Molecular dynamics simulation - YouTube
NAMD QM/MM (CGenFF) - Adrea's Notebook and Journal
NERDALYTICS
Molecules | Free Full-Text | Comparing Dimerization Free Energies and Binding Modes of Small Aromatic Molecules with Different Force Fields
