[gmx-users] Polystyrene box

Justin A. Lemkul jalemkul at vt.edu
Mon Sep 22 17:11:08 CEST 2008

Andrea Muntean wrote:
> Hello,
> we are trying to generate a polystyrene box. We have a homemade pdb 
> file, but the residues are not recognised. Have somebody a good pdb file 
> or can tell me what are the standard residues in Gromax?
> Any other good hints are welcome.

Residues that are recognized by the standard force fields are stored in .rtp 
files.  You will likely have to create an entry in the appropriate .rtp for a 
styrene monomer.  I believe I have seen posts to this list about such topics, so 
check the archives for the questions that were asked and the responses that were 


> Thanks a lot,
> Andrea
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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