[gmx-users] polymer-topology generation

Justin A. Lemkul jalemkul at vt.edu
Sun May 23 12:58:47 CEST 2010

P.R.Anand Narayanan wrote:
> Dear users,
> I am using Gromacs package to run the molecular simulation of a protein 
> that is bonded to a polymer. The polymer I use has around 760 atoms and 
> hence I am not able to generate its .itp and .gro files using PRODRG 
> server. Is there any other way how I can generate these files of my 
> polymer in order to use them in GROMACS??

You can find some general advice here:



> thanking you,
>  Regards,
> anand


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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