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

xianghong qi xianghong001 at gmail.com
Wed Oct 22 13:30:45 CEST 2008

Thanks, so how to edit  a residue name ? I am confused.  sorry about such
simple question.
-Xianghong Qi

On Tue, Oct 21, 2008 at 9:01 PM, Mark Abraham <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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