[gmx-users] Required help in topology making
suptimukherjee at gmail.com
Wed Jul 29 08:45:31 CEST 2009
I have a protein where one residue ( Lysine ) is making a covalent bond
the cofactor Pyridoxal phosphate. I have created other parameters of
heteroatom PLP through PRODRG and manual checking. But I am not sure how
include the parameters for the "imine" bond ( C=N bond ) that has been
formed between side chain amine group of lysine and aldehyde group of
Do I have to edit C-termini database file ( ff????-c.tdb ) ?
A clue to this problem will be highly appreciated.
Senior Research Fellow
Department of Psychopharmacology
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