From: Axel Kohlmeyer (
Date: Fri Feb 29 2008 - 09:25:23 CST

On Fri, 29 Feb 2008, Jorgen Simonsen wrote:

JS> Hi all,
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.


JS> Thanks in advance

Axel Kohlmeyer
   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.