powell minimization

Matthew Pugmire pugmire at BIO.CORNELL.EDU
Thu Aug 10 15:25:46 EST 1995



i am refining a strucutre in which i have alternate conformations.
i have used the constraint interaction statement to prevent two
alternate conformations from interacting with each other, but during
the powell minimization, it still gives me the message that atoms in
the 2 conformations are too close to each other.  why does the
powell min. seem to ignore these interaction constraints? is this normal?

matt pugmire
pugmire at bio.cornell.edu



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