[gmx-users] Salt bridges
and.carotti at farmchim.uniba.it
Thu May 19 11:34:20 CEST 2005
I've a general question: could someone tell me at which distance an ion pair
interaction could be considered a salt bridge?
I've read from a paper that:
"Two charged residues in a protein are inferred to form salt bridges if 1)
their side-chain charged
group centroids are within a 4-Å distance and 2) at least one pair of
side-chain nitrogen and oxygen atoms in the
two residues are within a 4-Å distance."
Is this a good definition and so...could I use the -t option of g_saltbr
with a value of 0.4 ?
I'll really appreciate any comment
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