[gmx-users] pdb2gmx

Robert Murawski rmurawski at physics.tamu.edu
Fri Jul 15 19:57:18 CEST 2005

Hello Javier,

genbox has a flag -nmol
which according to the manual

3) Insert a number (-nmol) of extra molecules (-ci) at random positions.
"-nmol 	 int 	 0 	 no of extra molecules to insert"

see in your distro


please let me know if this is works or is
what you are looking for


On Fri, 15 Jul 2005, 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?
> Thank you.
> Regards,
> JAvier
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Robert K. Murawski

Institute for Quantum Studies and Department of Physics
Texas A&M University
College Station, TX 77843

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