[gmx-users] generating .itp files

Justin A. Lemkul jalemkul at vt.edu
Sun Feb 21 19:04:37 CET 2010

P.R.Anand Narayanan wrote:
> Dear users,
> I am using a polymer which has around 700 atoms. Is it possible to 
> generate .itp file in some way other than by using PRODRG online server 
> which accepts only up to 300 atoms at a time? 
> Can anyone please let me know the possible number of ways of generating 
> .itp files through different sources?

Depending on the nature of the polymer, you can probably use pdb2gmx, provided 
you build appropriate .rtp entries.  For example:



> Awaiting your reply, 
> Thanking you, 
> regards, 
> Anand
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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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