Am 23.03.2009 um 03:45 schrieb Jack Shultz:
Hey Jack,
WARNING: atom HB1 is missing in residue LYSH 124 in the pdb file
You might need to add atom HB1 to the hydrogen database of
residue LYSH
in the file ff???.hdb (see the manual)
isn't amber using LYN and LYP for lysines? Anyways - comparing your
atomnames in your residue with the ones listed in the ffamberXX.rtp
file should reveal, which atom is not correctly named or missing.
Best
Martin
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