[gmx-users] PRODRG problem

[Daan van Aalten]

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!
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     |           "     |           "      http://davapc1.bioch.dundee.ac.uk/
     C-C-O       O   C-C-C         O             programs/prodrg/prodrg.html
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