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Topology and parameter files

Gerard 'CD' Kleywegt GERARD at XRAY.BMC.UU.SE
Tue Dec 1 12:53:14 EST 1998

the bond connecting the phenyl and the pyruvate
may have been planar accidentally in the
structur eused to generate the top & par
files - in that case, restraints to keep
it like that will have been included
look for a dihedral defined for the bond
that connects the two moieties and comment
it out in the top file

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