[gmx-users] getting .gro file

[Vitaly V. Chaban]

editconf -f conf.pdb -o conf.gro -box X Y Z





On Mon, Aug 3, 2015 at 10:44 AM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> Hi,
>
> Maybe you don't need one. See
> http://www.gromacs.org/Documentation/File_Formats/Coordinate_File#On_the_need_for_a_.gro_file
>
> Mark
>
> On Mon, Aug 3, 2015 at 3:36 PM Mehrnoosh Hazrati <
> mehrnoosh.hazrati at modares.ac.ir> wrote:
>
>> Dear Gromacs users,
>>
>> I've already have the .pdb and .itp files for my structure. And I've
>> written the .top file.
>> How can I produce the .gro file for my structure?
>>
>> Thank you in advance
>> Mehrnoosh
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