[gmx-users] Gromacs simulation of solid polymer

[Lianqing Zheng]

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

Lianqing


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!
>
>
>Y SUN 
>
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