[gmx-users] Gromacs simulation of solid polymer

Lianqing Zheng lzheng at me.rochester.edu
Thu Jul 17 19:28:01 CEST 2003

You may write your own .gro file directly. It works for SiO2. :)


On Thu, 17 Jul 2003 ysun at mie.utoronto.ca wrote:

>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!
>gmx-users mailing list
>gmx-users at gromacs.org
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list