Faezeh Kargar wrote:
Dear All
I asked this question in Martini's forum, but tile now no answer, so I
had to ask it here. excuse me.
I did an atomistic peptide simulation. The residues and positions of
all atoms in this peptide created by my self, I mean I didn't download
the pdb file from <www.pdb.org>. at the end of atomistic simulation I
have .pdb and .gro files that show the minimized structure of the peptide.
Now I have a question: Can I use the last pdb file for a CG peptide? Can
I use atom2cg.awk and seq2itp.pl in this case?
You can run those scripts on any syntactically-correct .pdb file.
-Justin
Thank you
Kargar
--
========================================
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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