AMBER Archive (2003)

Subject: adding hydrogens

From: CUI, Guanglei (cuigl_at_morita.chem.sunysb.edu)
Date: Tue Feb 18 2003 - 12:44:13 CST

Dear all,
    I'm trying to do some pKa calculations with amber force field. Can
    anyone recommend a good program to add hydrogen atoms to PDB files?
    I know protonate can do it, but I have non-amino-acid residues
    protonate doesn't know how to deal with. 

-- 
Guanglei Cui
Dept. of Chemistry
SUNY at Stony Brook
Stony Brook, NY 11790