[gmx-users] Gromacs simulation of solid polymer

[ysun at mie.utoronto.ca]

Thanks to Lianqing for your reply. I need to write .gro file.  
How is the best way to create   .top file? 

Thanks !




Quoting Lianqing Zheng <lzheng at me.rochester.edu>:

> 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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