[gmx-users] pull code for speptide : floating exception

[Yabias Sun]

Hi, Frauke, 
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,

sun