[gmx-users] floating exceptions

Lynne E. Bilston l.bilston at unsw.edu.au
Mon Mar 11 02:44:06 CET 2002


I'm having difficulty tracking down why I'm getting floating exceptions 
when I do an energy minimisation prior to doing md.

I get the same error in both 3.0 and 3.1 for my system (a lipid/protein 
combination), it prints out the energy tolerances, initial energy value, 
and the f-norm, then dies. I think it may be due to anomalies from the 
periodic boundary conditions, as I've just reduced the size of the system 
by trimming some lipids from the edges of a bigger system.

I can't figure out how to interpret what I'm getting from the -debug option 
and gmxdump. Is there anywhere I can look to see what all the stuff in 
these files means?



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