[gmx-users] .gro to .pqr

[Justin A. Lemkul]

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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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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