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Hello Jakob--
>
> How much inter-residue (long-range) forces are included in the Delphic
> torsions term by default? I wish to use as much as possible. Do I have
> to load the file "torsions_quarts/4D_quarts_inter_new.tbl" manually? -
> any reason why it (as far as I can tell) is not turned on by default?
> speed issues?.
both speed reasons, and because the inter-residue correlations are a bit
more ``dangerous'' than the intraresidue terms. To turn on everything,
please try:
protocol.initRamaDatabase()
xplor.command("""
rama
@QUARTS:4D_quarts_inter_new.tbl
@QUARTS:4D_quarts_intra_new.tbl
end
@QUARTS:setup_quarts_torsions_intra_4D.tbl
""")
> How is the compatibility with the "residue affinity potential"? is it
> advisable to use both this "residue affinity potential" and the
> delphic torsions potential?
>
we regularly use residueAffPot with the 2- and 3- dimensional RAMA
terms.
I'd appreciate success/failure stories.
best regards--
Charles
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