Re: [gmx-users] covalent bond lookup table

Stefano Meliga wrote: Dear Gromacs users, I need to produce a list of the covalent bonds of my protein structure in the format: Atom1 Atom2 binding energy 12 50 kcal/mol 13 150 kcal/mol ... The binding energy is not the pote

[gmx-users] covalent bond lookup table

Dear Gromacs users, I need to produce a list of the covalent bonds of my protein structure in the format: Atom1 Atom2 binding energy 12 50 kcal/mol 13 150 kcal/mol ... The binding energy is not the potential calculated by gro