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
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