[gmx-users] Gromacs simulation of solid polymer

[ysun at mie.utoronto.ca]

Hi All

I am from mechanical background and plan to simulate deformation of epoxy 
polymer cubic cell in solid state (after curing) under external forces.

How should define the residue name in PDB file for my simulation using Gromacs?

For atom C,  I had a Pdb fiel and residue name was 'UNK' but it iS not 
recognized by Gromacs? How should set?

Thanks in advance!


Y SUN