Maybe you think it is a simple scrips, but for those fresh GROMACS user such as me, it would be a very difficult task.
Anyway, thanks a lot for the messages. At 2011-06-01,"Thomas Piggot" <t.pig...@soton.ac.uk> wrote: >In addition to all the other responses, I just wanted to clear up why >there is this difference in names. The POPC structure from the link >below still has the atom names of the old CHARMM27 lipids (DPPC is >fine). As suggested, a simple script can do the conversion for you. > >Cheers > >Tom > >albert wrote: >> I know this, but this file cannot be used because the atom name is quite >> different from gromacs CHARMM36 topol library. >> >> >> At 2011-05-30,"Rausch, Felix" <frau...@ipb-halle.de> wrote: >> >> Check this link given by another (unknown) mailing list user >> yesterday (Topic name: *about POPC in Gromacs* )! >> >> http://terpconnect.umd.edu/~jbklauda/research/download.html >> <http://terpconnect.umd.edu/%7Ejbklauda/research/download.html> >> >> ------------------------------------------------------------------------ >> *Von:* gmx-users-boun...@gromacs.org >> <mailto:gmx-users-boun...@gromacs.org> im Auftrag von albert >> *Gesendet:* So 29.05.2011 21:23 >> *An:* Discussion list for GROMACS users >> *Betreff:* Re:Re: [gmx-users] where can I download POPC membrane file? >> >> But I don't think it is pre-equilibrium POPC membrane...... and more >> over, the position from VMD is not pre-aligned with OPM database. It >> would be a great problem for putting our protein in the membrane...... >> >> >> >> >> At 2011-05-30,"Sergio Manzetti" <sergio.manze...@vestforsk.no >> <mailto:sergio.manze...@vestforsk.no>> wrote: >> >> You can build it using VMD (VIsual Molecular Dynamics) >> >> >> >> 2011/5/30 albert <leu...@yeah.net <mailto:leu...@yeah.net>> >> >> Dear all: >> >> I would like to use charmm36 and POPC for membrane protein >> simulation. and I am wondering where can I download charmm36 >> pre-pribriumed POPC PDB and topol file for gromacs? >> >> Thank you very much >> Best >> >> -- >> gmx-users mailing list gmx-users@gromacs.org >> <mailto:gmx-users@gromacs.org> >> 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 gmx-users-requ...@gromacs.org >> <mailto:gmx-users-requ...@gromacs.org>. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> > >-- >Dr Thomas Piggot >University of Southampton, UK. >-- >gmx-users mailing list gmx-users@gromacs.org >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 gmx-users-requ...@gromacs.org. >Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists