[gmx-users] coarse grainig with Martini ff???
Faezeh Kargar
f_kargar at iasbs.ac.ir
Mon Dec 27 18:15:15 CET 2010
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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?
Thank you
Kargar
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