[gmx-users] .gro File manipulation

[Mark Abraham]

Hi,

I think you want genbox -cs membrane -box x y z (and a lot of
equilibration).

Mark


On Thu, Feb 13, 2014 at 6:13 AM, Andres Ortega <og_andres15 at hotmail.com>wrote:

> Dear Gromacs Users,
>
> I hava a membrane channel in a .gro file, but the -n and -c terminal are
> bigger, i mean the channel box is bigger( in x and y) than the membrane
> (512
> POPC) ,
> my 512 POPC is created using genconf with a 128POPC
> so i create a 1152 POPC with genconf nbox 3 3 1 , but there are to much
> POPC
> molecules,
> is there a tool in gromacs that i can select the box size and just that
> POPC
> molecules in that box instead of using the entire membrane,
>
> or i have to chech the 128POPC, and delete molecule, and then prepare a
> more
> adecuate membrane.gro with genconf ?
>
> I would appreciate any help or advice
>
> Andres
>
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