From: Jeffrey Potoff (jpotoff_at_chem1.eng.wayne.edu)
Date: Sun May 16 2010 - 01:35:23 CDT
Dai, Jian1 wrote:
> Hi, NAMD users:
> We're trying to simulate bilayers of different lipids, (DPPC, POPC, etc), with different size, (72, 128, etc).
> On Dr. Scott Feller's website there are some bilayer coordinates, but I don't know how to generate the necessary psf files from those pdb files. Can someone tell us how to do this?
> Thank you.
The general idea of generating PSF files from PDB files is explained in
the NAMD tutorials. If you're interested in lipids, the easiest way to
get started is to use CHARMM-GUI(http://www.charmm-gui.org/), which will
give you both the coordinates and corresponding PDB, PSF and parameter
-- ====================================================================== Jeffrey J. Potoff jpotoff_at_chem1.eng.wayne.edu Associate Professor Wayne State University Department of Chemical Engineering and Materials Science 5050 Anthony Wayne Dr Phone:(313)577-9357 Detroit, MI 48202 Fax: (313)578-5815 http://potoff1.eng.wayne.edu ======================================================================
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:54:08 CST