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
