[gmx-users] generating .itp files

[Justin A. Lemkul]

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:

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

-Justin

> 
> Awaiting your reply, 
> Thanking you, 
> 
> regards, 
> Anand
> 
> ------------------------------------------------------------------------
> Your Mail works best with the New Yahoo Optimized IE8. Get it NOW! 
> <http://in.rd.yahoo.com/tagline_ie8_new/*http://downloads.yahoo.com/in/internetexplorer/>.
> 

-- 
========================================

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

========================================