Version 0.10.0 of Martinize2 causes two warnings, the command here should be updated from:
genericMD --code martinize2@localhost --command "-f PTH2R_fit.pdb -o PTH2R_opm.top -x PTH2R_opm.cg.pdb -ff martini3001 -nt -dssp mkdssp -elastic -p backbone -maxwarn 1 -mutate HSD:HIS -mutate HSP:HIH -ignh -cys auto -scfix" \ --inputs PTH2R_fit.pdb \ --outputs PTH2R_opm.top --outputs PTH2R_opm.cg.pdb --outputs molecule_0.itp
to
genericMD --code martinize2@localhost --command "-f PTH2R_fit.pdb -o PTH2R_opm.top -x PTH2R_opm.cg.pdb -ff martini3001 -nt -dssp mkdssp -elastic -p backbone -maxwarn 2 -mutate HSD:HIS -mutate HSP:HIH -ignh -cys auto -scfix" \ --inputs PTH2R_fit.pdb \ --outputs PTH2R_opm.top --outputs PTH2R_opm.cg.pdb --outputs molecule_0.itp
Version 0.10.0 of Martinize2 causes two warnings, the command here should be updated from:
genericMD --code martinize2@localhost --command "-f PTH2R_fit.pdb -o PTH2R_opm.top -x PTH2R_opm.cg.pdb -ff martini3001 -nt -dssp mkdssp -elastic -p backbone -maxwarn 1 -mutate HSD:HIS -mutate HSP:HIH -ignh -cys auto -scfix" \ --inputs PTH2R_fit.pdb \ --outputs PTH2R_opm.top --outputs PTH2R_opm.cg.pdb --outputs molecule_0.itpto
genericMD --code martinize2@localhost --command "-f PTH2R_fit.pdb -o PTH2R_opm.top -x PTH2R_opm.cg.pdb -ff martini3001 -nt -dssp mkdssp -elastic -p backbone -maxwarn 2 -mutate HSD:HIS -mutate HSP:HIH -ignh -cys auto -scfix" \ --inputs PTH2R_fit.pdb \ --outputs PTH2R_opm.top --outputs PTH2R_opm.cg.pdb --outputs molecule_0.itp