[gmx-users] pull code for speptide : floating exception
ysun at mie.utoronto.ca
Tue Aug 12 22:40:01 CEST 2003
Thank you very much for your reply.
As you advised. I tried to skip -pn -pi, it worked and got output results.
However, when added -pn -pi in the mdrun, it had error: "floating exception"
just occurred at the beginning (may be the first step)!
YOU mentioned you met this problem, due to step=0 the force equal zero, one of
the function caused the error, how did you solve your problem at that time?
Thank you and best regards,
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