[gmx-users] Topology files

[Justin A. Lemkul]

kirtana S wrote:
> For example if I have a polystyrene polymer chains and monomers of user 
> defined solvent . I need to construct the .itp file by hand . 
> 

Polystyrene is most easily generated using .rtp entries in pdb2gmx.  The solvent 
can be described by manually created .itp files.

http://www.gromacs.org/Documentation/How-tos/Polymers

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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