When running nab examples program_7, it gave message:
Residue DA not in library dna.amber94.rlb.
After removing the specific reslib from the code (below), it ran ok. What is
the right or default reslib?
Thanks!
-Lixia
beginning of the code:
// Program 7 - refine backbone geometry using distance function
molecule m;
bounds b;
string seq, cseq;
int i;
float xyz[ dynamic ], fret;
seq = "acgtacgt";
cseq = wc_complement( "acgtacgt", "", "dna" );
m = wc_helix( seq, "dna.amber94.rlb", "dna", cseq, "dna.amber94.rlb",
"dna", 2.25, -4.96, 36.0, 3.38, "" );
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Received on Wed Jan 20 2010 - 15:00:02 PST
