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

Mark Abraham Mark.Abraham at anu.edu.au
Wed Oct 22 03:01:13 CEST 2008

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 

You'll need a residue name to get a topology defined, so edit one in.


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