[gmx-users] pull code for speptide

YSUN at mie.utoronto.ca YSUN at mie.utoronto.ca
Fri Aug 8 19:46:02 CEST 2003


Dear GMX-USERS,

I am trying a pull code on example: speptide (under tutor/speptide).
I applied pulling on a top atom (atom 9) and freeze at a bottom atom (atom 140),

and used 

grompp -f pr.mdp -o prpull3 -c after_em -p speptide -n index.ndx

mdrun -s prpull3.tpr -o prpull3 -c prpull3.gro -e prpull3.edr -g prpull3.log -
pi pull.ppa -pn index.ndx

The error came out:  "floating exception"

Would appreciate if you could help me to identify the problem.

I attached two relevant files (.ppa and .mdp, index file is too big) here for 
your information.

Thanks in advance!

Sun

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