[gmx-users] Gromacs 96 and POPE
swolf at bph.rub.de
Tue Feb 6 09:57:52 CET 2007
actually you don't have to care to run the lipid pdb by Tieleman through
pdb2gmx at all - just copy the respective lines out of lipid.itp into
ffG43a1bon.itp and ffG43a1nb.itp (or the force field you want to use)
and put "#include pope.itp" into your *.top file - et voila, you're
done. Attention: the lipid parameters are optimized to be used with SPC
water! So pay attention when using TIP3...
> Hi all;
> I am new to Gromacs, trying to create a membrane with POPE lipids. I
> got the pope.itp and lipid.itp (for Gromos87) files from Tieleman
> group web site, and trying to make POPE recognized by pdb2gmx. So far
> I could not get it done..
> - Can it be because lipid.itp is not for Gromos96? does anyone have
> lipid.itp for Gromos96?
> - Which force field would be a better choice for TIP3 and POPE
> I'd appreciate any help..
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Dipl.-Chem. Steffen Wolf
Department of Biophysics
University of Bochum
Tel: +49 (0)234 32 28363
Fax: +49 (0)234 32 14626
E-Mail: swolf at bph.rub.de
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