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unanswered reverse transformation

  • nivedita
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11 years 6 months ago #1181 by nivedita
reverse transformation was created by nivedita
Hello Floris,
My Steps for generating fg.top file are as follows:
1. pdb2gmx -f filename.pdb -o file.gro -p topol.top -water fg_w
it says that your system has total 2.000 charge
2. editconf
3. genbox -cp file -cs spc216.gro -o solv.gro -p topol.top
4. grompp -f ions.mdp -c solv.gro -p topol.top -o ion.tpr
5. genion -s ion.tpr -o solv_ion.gro -p topol.top -nname CL -nn 2
6. grompp -f minim.mdp -c solv_ion.gro -p topol.top -o em.tpr
7. mdrun -v deffnm em
8. g_fg2cg -pfg topol.top -pcg system.top -n 0 -c last_frame.gro -o fg.gro
Result : Sagmentation fault

Will you please tell me where i did mistake?

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