Adva Suez wrote:
Hello all!
I would like to insert a molecule to a membrane system and would like to start from a specific position of the molecule (hydrocarbon or lipid headgroups). I tried doing that in Pymol after converting the merged gro into pdb (using editconf) but when I saved the file in Pymol the order of the lipids atoms got mixed up and it does not match the dppc.itp anymore. Then it caused problems in grompp. Do you have another way to set the position of the molecule in the system? maybe without converting to PDB...??


You can use editconf -translate/-rotate/-center to manipulate the position of the molecule.

-Justin


Thanks,
Adva.

--
Adva Yeheskel
Bioinformatics Unit
Rm 001, Sherman bldg.,
 G.S.W. Faculty of Life Sciences
 Tel-Aviv University, ISRAEL 69978
Tel: 972-3-6406840; Fax: 972-3-6405098
 E-mail: sueza...@tauex.tau.ac.il <mailto:sueza...@tauex.tau.ac.il>
Web-site: http://www.tau.ac.il/lifesci/bioinformatics.html <http://www.tau.ac.il/lifesci/bioinformatics.html>


--
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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