Re: [gmx-users] help---How to define new residue in GROMACS?

?? wrote: My problem is How to define new residue in GROMACS? i have made a 3-d structure model for a protein based on a template protein??which has a heme group. befor runing the gromacs molecular simulation,i must define the heme group as a new residue,How to define new residue in GR

[gmx-users] help---How to define new residue in GROMACS?

My problem is How to define new residue in GROMACS? i have made a 3-d structure model for a protein based on a template protein，which has a heme group. befor runing the gromacs molecular simulation,i must define the heme group as a new residue,How to define new residue in GROMACS? thanks !_