VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Feb 29 2008 - 09:25:23 CST
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On Fri, 29 Feb 2008, Jorgen Simonsen wrote:
JS> Hi all,
JS>
JS> I am aligning a small protein 60 residues but when I try to align either
JS> using a script or within VMD I get the following error
JS> vmd > Matrix: Warning: no convergence (0.00001000<2471.54272461 after 1000
JS> iterations).
[...]
JS> how to fix this? Any advice or suggestions appreciated
nobody here has psychic capabilities, so please provide input
files and a description of what you did, version and platfrom
of VMD and then we can try to reproduce this and figure out
where it is coming from and what to do about it.
with the information you provide, only a (useless) answer
like "you must have done something wrong" is possible.
cheers,
axel.
JS>
JS> Thanks in advance
JS>
-- ======================================================================= Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
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