[gmx-users] .rtp file

Justin A. Lemkul jalemkul at vt.edu
Fri Nov 18 13:07:06 CET 2011

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 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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