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! -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
