[gmx-users] pdb2gmx

[David]

On Fri, 2005-07-15 at 10:54 -0500, javier wrote:
> Dear all,
> 
> 
> I'll be very grateful if somebody can please let me know how could I
> generate initial Gromacs coordinates file (for 25 molecules A) from a PDB
> file(only 1 molecule A). I know from the manual that with  pdb2gmx you are
> able to generate  topology and conf files but do you need  a Pdb file with
> the coordinates of 25  molecules to do this?
Probably yes because pdb2gmx sorts the amino acids in the molecules and
adds hydrogens to it.

> 
> Thank you.
> 
> Regards,
> 
> 
> JAvier
> 
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-- 
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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