[gmx-users] Gromacs simulation of solid polymer

ysun at mie.utoronto.ca ysun at mie.utoronto.ca
Thu Jul 17 19:22:01 CEST 2003

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!


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