[gmx-users] question on lipid simulation

Itamar Kass ikass at cc.huji.ac.il
Wed Nov 23 06:41:15 CET 2005

Shalom Longzhu,

At the GROMACS website there is a modified force field you can use (GROMOS87)
for this purpose just unzip it in the appropriate folder, or try the new
GROMOS96 53a5 or 53a6. Also, if you will go over the literature you will find
the parameters used in such simulations.

Good luck, Itamar.

Quoting Longzhu Shen <lzshen at emails.bjut.edu.cn>:

> Hello,
> I am a biginner of gromacs, Wondering which force field should I use to
> perform phospholipid simulation? What's more, the system also contains a
> small peptide. I'd like to choose gromos96 field. But the manual said this
> force field is not suitable for lipid. So would it be reasonable for me to
> use two different force fields(one for the protein and the other for the
> peptide) in one simulation? If so, how to do that? Highly appreciate your
> kind reply.
> sinerely,
> Longzhu
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| Itamar Kass
| The Alexander Silberman
| Institute of Life Sciences
| Department of Biological Chemistry
| The Hebrew University, Givat-Ram
| Jerusalem, 91904, Israel
| Tel: +972-(0)2-6585194
| Fax: +972-(0)2-6584329
| Email: ikass at cc.huji.ac.il
| Net: http://www.ls.huji.ac.il/~membranelab/itamar/itamar_homepage.html

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