[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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