[gmx-users] .xtc stopped

ehab at biof.ufrj.br ehab at biof.ufrj.br
Mon Sep 16 17:38:30 CEST 2002


Hi,
 
I'm running MD of proteins immersed in water with inhibitor during 
1000ps...most of them (10 simulations) were fine, but one of that stopped to 
write the xtc archive at 834 ps.The trr and out shows that the simulation 
finished at 1000ps..Anyone could help me to say what happened?
Thanks in advance,

Elza Helena Andrade Barbosa
Biophysics Institute Carlos Chagas Filho
Federal University of Rio de Janeiro
Brazil



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