[gmx-users] PRODRG2.5 server

[Osmany Guirola Cruz]

Hi 
 Now i have the prodrg server and i want obtain topologies from
molecules with a number of atoms greater than 300 :-) How can i do this?
what i have to change in the zip file prodrg.param
thanks 
OSMANY  


On Wed, 2005-01-05 at 20:22 +0000, Daan van Aalten wrote:
>  Dear all
> 
>  The PRODRG2 program, which generates coordinates and topologies from
>  scratch (output formats: various PDB files with/without hydrogens and CNS,
>  REFMAC, SHELX, WHAT IF, O, MDL Molfile, Mol2, Gromacs, Autodock (and
>  others) topologies) is now available as a binary executable for free for
>  academic users.  Please download and use PRODRG locally if you want to,
>  for instance, convert large libraries of small molecules - this will
>  relieve some of the strain on the server, which is still there for anyone
>  to use and always runs the most up-to-date/bug-fixed version.
> 
>  In addition, a new version, PRODRG2.5, is available for testing on the
>  server (and will also soon be available for downloading). There are
>  several improvements, the most significant improvement is compatibility
>  with the Gromos96 force field. PRODRG2.5 is very much a beta version and
>  we would welcome your feedback to help us improve it.
> 
>  The server/download page is at http://davapc1.bioch.dundee.ac.uk/prodrg
> 
>  Happy PRODRG-ing and best wishes for 2005!
> 
>  Alex Schuettelkopf & Daan van Aalten
> 
>  ##############################################################################
>  Dr. Daan van Aalten                    Wellcome Trust Senior Fellow / Reader
>  Wellcome Trust Biocentre, Dow Street   TEL: ++ 44 1382 344979
>  Div. of Biol.Chem. & Mol.Microbiology  FAX: ++ 44 1382 345764
>  School of Life Sciences                E-mail: see WWW page
>  Univ. of Dundee, Dundee DD1 5EH, UK    WWW: http://davapc1.bioch.dundee.ac.uk
> 
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