http://cesium.hyperfine.info/~peter/gromacs/popc36/ has a fully gromacs compatible charmm36 238 POPC bilayer with 21524 waters
On 2012-12-18 09:07:22PM -0800, James Starlight wrote: > 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 > > 2012/12/18, Justin Lemkul <[email protected]>: > > > > > > On 12/18/12 2:02 PM, James Starlight wrote: > >> Dear Gromacs Users! > >> > >> I'm looking for 150-200 lipid bilayer ( POPC or POPE) parametrized in > >> charmm27 or charmm36 force field and pre-equilibrated in NPT > >> conditions. I'll bevery thankfull to anybody who provide me with the > >> coordinates as well as itp file for such bilayer. > >> > > > > http://terpconnect.umd.edu/~jbklauda/research/download.html > > > > Google is your friend. There are plenty more places to look. A search for > > > > "POPC CHARMM membrane coordinates" (without the quotes) does the trick. > > > > -Justin > > > > -- > > ======================================== > > > > Justin A. Lemkul, Ph.D. > > Research Scientist > > Department of Biochemistry > > Virginia Tech > > Blacksburg, VA > > jalemkul[at]vt.edu | (540) 231-9080 > > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > > > ======================================== > > -- > > 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 > > > -- > 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 -- -- 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
