[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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