[email protected] 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
--
========================================
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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