[gmx-users] pull code for speptide
ysun at mie.utoronto.ca
ysun at mie.utoronto.ca
Mon Aug 11 18:45:01 CEST 2003
Dear GMX-users,
Since no reply to my previous question, I want to seek your help again.
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 relevant files here for your information.
Thanks in advance!
Sun
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