[gmx-users] How to make a pdb file for methane pair?

[xianghong qi]

Thanks so much , Justin. I will try.
-Xianghong Qi

On Wed, Oct 22, 2008 at 7:41 AM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> xianghong qi wrote:
>
>> Thanks, so how to edit  a residue name ? I am confused.  sorry about such
>> simple question.
>>
>
> Use a text editor.  Be sure to keep the formatting right when doing so:
>
> http://www.wwpdb.org/documentation/format32/sect9.html
>
> -Justin
>
>  -Xianghong Qi
>>
>> On Tue, Oct 21, 2008 at 9:01 PM, Mark Abraham <Mark.Abraham at anu.edu.au<mailto:
>> Mark.Abraham at anu.edu.au>> wrote:
>>
>>    xianghong qi wrote:
>>
>>        Hello, everyone,
>>        I want to create a pdb file for methane pair . I can make
>>        methane pair from MOE and then save to pdb file format without
>>        any residue name there.
>>        The question is that I can't convert pdb file to .gro file from
>>        gromacs without residue name.  Anyone has any idea about this
>>        question. I appreciate
>>        your help.
>>
>>
>>    You don't need a .gro file for itself.. see
>>
>> http://wiki.gromacs.org/index.php/Coordinate_File#On_the_need_for_a_.gro_file
>>
>>    You'll need a residue name to get a topology defined, so edit one in.
>>
>>    Mark
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>
> --
> ========================================
>
> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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