Thank Justin and Flor so much ! Sorry about my unclear question. I mean that my boxes is not isotropic. Each box has many types of molecules such as water, lipid, ... Are those tools that you adviced me available for this problem ?
Regards, KT On Wed, Jan 16, 2013 at 11:46 PM, FLOR MARTINI <flormart...@yahoo.com.ar>wrote: > You should try packmol software. You will need to use a pdb formats, but > then you transform to .gro with pdb2gmx. It´s free and very easy to use. > http://www.ime.unicamp.br/~martinez/packmol/ > > > Flor > > > > > Dra.M.Florencia Martini > Cátedra de Farmacotecnia II > Facultad de Farmacia y Bioquímica > Universidad de Buenos Aires > Junín 956 6º (1113) > TE: 54 011 4964-8273 > > > ________________________________ > De: Kieu Thu Nguyen <kieuthu2...@gmail.com> > Para: Discussion list for GROMACS users <gmx-users@gromacs.org> > Enviado: miércoles, 16 de enero de 2013 13:09 > Asunto: [gmx-users] merge many boxes > > Dear All, > > I want to merge two or many boxes with the same size into one new box. The > size of new box is not a multiples of old box size. And the molecules that > overlap have to be removed. In Gromacs, are there any tool for my problem ? > > Thanks in advance ! > Regards, > KT > -- > 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 > -- 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
