From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri May 15 2009 - 06:55:37 CDT
It is possible that there are 1-3 or 1-4 interactions that are leading
to clashes (these would be ignored with 1-4 exclusions). How long did
you minimize for before starting your run?
Best,
Peter
doty alexiou wrote:
> Thank u for your previous answer.I used exclusion 1-2(for the RBCG
> protein model)with rigindbonds=none,but whatever changes i make to the
> configuration file the error is the same:fatal error:exiting
> prematurely. (atoms are moving with speeds greater than the limit).On
> the contrary,if i use exclusion scaled 1-4,the run is ok.What could be
> the possible solution?
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