[gmx-users] creating pqr files

[David]

On Sat, 2004-12-04 at 12:03 -0200, Alan Wilter Sousa da Silva wrote:
> Hi List!
> 
> I would like to see a option in editconf to create, froma tpr file, a pqr
> file format to be used in apbs or mead.
I think there is already. 
editconf -mead
editconf -grasp

> 
> If it's there, I beg your pardon.
> Anyway, many thanks in advance for any help here.
> 
> Cheers,
> Alan
> 
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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