[gmx-users] [gmx-user] Parameter files for Lysozyme in water tutorial - Charmm36

Quin K profiles.ke at gmail.com
Wed Aug 28 13:22:04 CEST 2019


Hi

Does anyone have *.mdp* files for Lysozyme in water (With CHARMM36 FF)
tutorial given in following link.
http://www.mdtutorials.com/gmx/lysozyme/01_pdb2gmx.html
I want to try this for a project I'm doing.
There are 4 .mdp files
ions.mdp <http://www.mdtutorials.com/gmx/lysozyme/Files/ions.mdp>
minim.mdp <http://www.mdtutorials.com/gmx/lysozyme/Files/minim.mdp>
nvt.mdp
npt.mdp <http://www.mdtutorials.com/gmx/lysozyme/Files/npt.mdp>

I have tried to change the parameter files for CHARMM36 but did not
succeed.
CHARRM36
<http://manual.gromacs.org/documentation/2018/user-guide/force-fields.html#targetText=CHARMM%20(Chemistry%20at%20HARvard%20Macromolecular,CHARMM27%2C%20CHARMM36)%20force%20fields>
Thank you in advance!!

Regards!


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