[gmx-users] Re: creating pqr files

sameer varma varma1 at uiuc.edu
Sat Dec 4 20:08:34 CET 2004

I am not sure if you have already explored this option, but in any case, 
you could dump your coordinate file in PDB format using trjconv/editconf 
and then upload the file at any of the PDB2PQR mirrors, like


I hope that helps.
cheers - Sameer.

At 12:21 PM 12/4/2004 -0200, you wrote:
>Answering to myself.
>Ok, -mead option does part of I want. But, how could I do if I want whole
>Hydrogens? And about radii?
>Actually, I'm looking for something like changepdb from Amber. (obs: I
>don't have Amber).
>Alan Wilter Sousa da Silva
>Projeto BioPAUA - HP/LNCC
>Petrópolis (RJ), Brasil
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