[gmx-users] PRODRG problem

Daan van Aalten vdava at davapc1.bioch.dundee.ac.uk
Wed May 21 16:45:01 CEST 2003


Hi

Have you read the FAQ? You will see that it is possible to add or delete
(polar!) hydrogens at will.

Daan

On Wed, 21 May 2003, Osmany Guirola Cruz wrote:

>  I have a 2 peptides that i give to the prodrg server, I give to the server the peptide in PDB format with all H that i need
>  but the server adds some extra H that i don't want .What can i do? Can i modify the topology files and eliminate the
>  extra H? How?
>


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Dr. Daan van Aalten                    Wellcome Trust CDA Fellow
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: dava at davapc1.bioch.dundee.ac.uk
Univ. of Dundee, Dundee DD1 5EH, UK    WWW: http://davapc1.bioch.dundee.ac.uk

        O     C           O     C         Visit the PRODRG server to take
        "     |           "     |         the stress out of your topologies!
  N--c--C--N--C--C--N--C--C--N--C--C--O
     |           "     |           "      http://davapc1.bioch.dundee.ac.uk/
     C-C-O       O   C-C-C         O             programs/prodrg/prodrg.html
       "
       O




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