[gmx-users] .rtp file

[Justin A. Lemkul]

ibi2010004 at iiita.ac.in wrote:
> Hello,
> 
> I ve a query.I ve not created .rtp file,.atp file.I ve only .pdb file and
> i used pdb2gmx command and successfully got .top,.itp and .gro file.
> 
> Do my files contains error without making use of .rtp and .atp files.Its
> just a curiosity to know.And how to make .rtp and .atp files.
> 

The only reason you would need to create or modify existing .rtp and .atp files 
is if you are adding or modifying a new residue to it.  Most standard residues 
are present in the force fields packaged with Gromacs.

If you don't get an error message, there probably weren't any errors :)

-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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