[gmx-users] How to a .gro file generated from this .top file?

Mark Abraham Mark.Abraham at anu.edu.au
Wed Sep 19 15:32:29 CEST 2012

On 19/09/2012 11:22 PM, Ali Alizadeh wrote:
> Dear Justin
> I prepare a .top file with a combination of input #include and pdb2gmx,
> How can i generate a .gro file from this .top file?

You can't - they have radically different kinds of information. Also, 
pdb2gmx wrote a coordinate file that matches its .top, which by default 
will be in .gro format.


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