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

[Justin A. Lemkul]

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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