Hi James, You could also have look at our website:
http://people.su.se/~jjm There you find a number of bilayers ready to use (among them there is a POPE bilayer). They were generated with another FF but if you wish to use CHARMM you can since the atom numbering/naming is the same for Slipids and CHARMM. Best, Joakim Message: 2 Date: Tue, 18 Dec 2012 21:07:22 -0800 From: James Starlight <[email protected]> Subject: Re: [gmx-users] Pre-equilibrated CHARMM lipid bilayers To: Discussion list for GROMACS users <[email protected]> Message-ID: <CAALQopzb3eS5DCL7vKN+S3e7BBLADxo6ETDg2t8BD1=jy7x...@mail.gmail.com> Content-Type: text/plain; charset=ISO-8859-1 Justin, thanks again. As I understood gromacs already had had parameters for charmm lipid so the main approach is to do ITP file for 1 lipid by means of pdb2gmx isnt it? By the way is there any way to convert PSF or CRD file to PDB? I've found suitable bilayer for my simulation but it lack such coordinates. POPE Bilayer (310.15K, A=65.2 Â/lipid, 10ns, 340 lipids, noLRCs): CHARMM PSF, X-Plor/NAMD PSF, and CHARMM CRD James-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
