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rg2_monomer_charmm_ff

CHARMM formatted force-field files for monomeric form of Rhamnogalacturonan-II (RG-II)

This repository contains the following files.

  1. RG-II specific residue topology and parameter files (rg2_cgenff_monomer.rtf and rg2_cgenff_monomer.prm)
  2. Standard CHARMM and CGENFF topology files (top_all36_carb.rtf and top_all36_cgenff.rtf)
  3. Standard CHARMM and CGENFF parameter files (top_all36_carb.prm and top_all36_cgenff.prm)
  4. PSF and PDB files of the RG-II monomeric structure (rg2_monomer_m4.psf, rg2_monomer_m4.pdb)
  5. A sample CHARMM input file (charmm.inp)

Please see following pre-print for more information: Koj, S.; Bu, L.; Crowley, M. F.; Sharma, D.; Urbanowicz, B. R.; O’Neill, M. A.; Pena, M. J.; Bharadwaj, V. S. Probing Sequence-Structure Paradigms in Complex Carbohydrates – A Case Study on Rhamnogalacturonan-II. https://doi.org/10.21203/rs.3.rs-3895487/v1.

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