Dear AMBER users,
I am trying to generate a .lib file (parameters) for a non-standard
residue, bacteriochlorophyll a. I have optimized the ring structure and
derived RESP charges. Then I have run antechamber to generate .prepin
file. But in prepin file the topological parameters of Mg atom are not
clear. I get an error as follows:
Atom X: Illegal chain specifier [0] in PREP file.
82 X 1 0 1 7.519 nan 0.000 0.000000
What should one do in such type of case?
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Received on Wed Oct 24 2018 - 06:30:03 PDT
