Hello,
Could you please provide some more details on how to produce the contours
figure presented in AMBER Advanced Tutorial 25 - Introduction page?
Also, trying to use the command
gistpp –i gist-gO.dx –i2 complex.pdb –op defbp –opt cutoff1 10 –o
perturbedcomplex.dx
the error "The ligand structure file is expected in i2 NOT in i!!
terminate called after throwing an instance of 'std::bad_alloc'
what(): std::bad_alloc
Aborted"
was produced. What this means?
Thanks,
Sofia
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Received on Tue Feb 06 2018 - 16:30:01 PST
