Topic: charmm-gui Goto Github
Some thing interesting about charmm-gui
Some thing interesting about charmm-gui
charmm-gui,Analysis scripts for the CHARMM GUI Drude Prepper Paper
User: aakognole
charmm-gui,A multi-purpose tool for automated setup of MD systems (e.g. for transformato) and local, menu-based rerunning of CHARMM-GUI input scripts for CHARMM
User: akaupang
Home Page: https://github.com/akaupang/macha
charmm-gui,Google Colab notebooks for running molecular dynamics simulations with GROMACS
User: bioinfkaustin
charmm-gui,Set up relative free energy calculations using a common scaffold
Organization: cbc-univie
Home Page: https://cbc-univie.github.io/transformato/
charmm-gui,Tutorial for converting NAMD psf/pdb files to CHARMM PSF/CRD (credit attributed where appropriate to the AMAZING humans who developed these scripts)
User: fearlessroad
charmm-gui,This code adds custom-made amino acids to the GROMACS forcefield directory.
User: kimjc95
charmm-gui,A Molecular Dynamics simulation project of pyrazinamidase studying its influence in antibiotic resistance of pyrazinamide. The TIP3P water model as implemented in CHARMM (MacKerell) specifies a 3-site rigid water molecule with charges and Lennard-Jones parameters assigned to each of the 3 atoms. In GROMACS the fix shake command can be used to hold the two O-H bonds and the H-O-H angle rigid. A bond style of harmonic and an angle style of harmonic or charmm should also be used.
User: mecomontes
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