[gmx-users] coarse grainig with Martini ff???

Faezeh Kargar f_kargar at iasbs.ac.ir
Mon Dec 27 18:15:15 CET 2010


<html><div>

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 




-- 
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101227/cf84838d/attachment.html>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101227/cf84838d/attachment-0001.html>


More information about the gromacs.org_gmx-users mailing list