<html><head></head><body><p>Dear Justin</p><p>Thank you for your reply.
this simulation contains a peptide and water in a specified pH. Do you
think this .pdb file is correct.</p><p>Thank you</p><p>Kargar<br />>
<br />> <br />> Faezeh Kargar wrote: <br />>> Dear All <br
/>>> <br />>> I asked this question in Martini's forum, but
tile now no answer, so I <br />>> had to ask it here. excuse me. <br
/>>> I did an atomistic peptide simulation. TheĆ residues and
positions of <br />>> all atoms in this peptide created by my self,
I mean I didn't download <br />>> the pdb file from
<www.pdb.org>. at the end of atomistic simulation I <br />>>
have .pdb and .gro files that show the minimized structure of the <br
/>>> peptide. <br />>> <br />>> Now I have a question:
Can I use the last pdb file for a CG peptide? Can <br />>> I use
atom2cg.awk and seq2itp.pl in this case? <br />>> <br />> <br
/>> You can run those scripts on any syntactically-correct .pdb file.
<br />> <br />> -Justin <br />> <br />>> Thank you <br
/>>> Kargar <br />>> <br />> <br />> -- <br />>
======================================== <br />> <br />> Justin A.
Lemkul <br />> Ph.D. Candidate <br />> ICTAS Doctoral Scholar <br
/>> MILES-IGERT Trainee <br />> Department of Biochemistry <br
/>> Virginia Tech <br />> Blacksburg, VA <br />>
jalemkul[at]vt.edu | (540) 231-9080 <br />>
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin <br />> <br
/>> ======================================== <br />> -- <br />>
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