[gmx-users] .gro to .pqr

[Francesco Oteri]

Hi Mona,
You can try to convert your .gro file in .pdb. Then you can use 
pdb2pqr.py, that permits to assign atomic charges basing on AMBER or 
CHARMM force-field


Francesco

Il 01/06/2011 17:22, Justin A. Lemkul ha scritto:
>
>
> Mona Habibi wrote:
>>
>>  Hi Justin,
>>
>> Thank  you for quick answer, but I don't have the .tpr file, Is there 
>> any other way?
>>
>>
>
> No.  The only file format that contains all the information necessary 
> for a .pqr file (coordinates, charges, and radii) is a .tpr file.  
> Generating one is trivial; follow any tutorial.
>
> -Justin
>