[gmx-users] merge many boxes

[Kieu Thu Nguyen]

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 <flormartini at 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 <kieuthu2212 at gmail.com>
> Para: Discussion list for GROMACS users <gmx-users at 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 at 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-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> --
> gmx-users mailing list    gmx-users at 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-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>