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?
More information about the X-plor