[gmx-developers] return to mdrun
Emanuel.Peter at chemie.uni-regensburg.de
Wed Feb 25 13:44:02 CET 2009
At the moment I am in little trouble.
I try to do a loop over one mdrun then h_bond_analysis and after that to
restart the mdrun-function.
My loop is built up like this :
main (int counter)
declaration of argc and argv
Over the first loop everything does as I expect it to run, but the
return to mdrun causes a crash--- "illegal instruction".
With the tool grompp I read out the last configuration "confout.gro"
from the previous md-step and it writes a file "topol.tpr".
Up to now I don`t know in which way to solve the problems of restarting
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