dear amber users,
i have a timestep in which the vlimit of 20.0 is exceeded, displaying a vmax of 20.9 in the output file. how can find the corresponding atom or component which causes this exceeding? i have a velocity file for every single timestep (with unit Angstroms per 1/20.455 ps as found on the amber homepage) but the values are in the range of 0.1 to 4.5, so not even close to vmax of 20.9. has vlimit a different unit?
thanks in advance,
fabian
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Fabian Bös
Institute of Technical Biochemistry
University of Stuttgart / Germany
Phone: +49-711-6857481
Fax: +49-711-6853196
Email: fabian.boes.po.uni-stuttgart.de
http://www.itb.uni-stuttgart.de
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Received on Mon May 12 2003 - 14:53:01 PDT
