ATP topology

Manal Swairjo swairjo at scripps.edu
Tue Oct 26 15:53:46 EST 2004


Hi. I'm using topology and parameter files for ATP which I downloaded from
the HIC-UP web site. During molecular dynamics (of refine.inp), the
program stops and complains

 ERROR: There are too many trees.
          Please increase MAXTREE and re-run.
 %TORSION:TOPOLOGY error encountered: Fatal Topology Error
   (CNS is in mode: SET ABORT=NORMal END)

When running cartesian dynamics,the beta and gamma phosphates become
planar (low or no chirality) after the refimenent. Does anyone have a
trusted ATP topology and parameter files that I can use?


Thanks
Manal

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