[gmx-users] grompp Unkown bond_atomtype C2
Lara Bunte
lara.bunte at yahoo.de
Wed May 16 09:56:20 CEST 2012
Hi
After:
pdb2gmx -f mymol.pdb -water tip3p
editconf -f conf.gro -bt dodecahedron -d 1.3 -o box.gro
genbox -cp box.gro -cs spc216.gro -p topol.top -o solvated.gro
I typed:
grompp -f em.mdp -p topol.top -c solvated.gro -o em.tpr
where em.mdp is my energy minimization file and I got:
Fatal error:
Unknown bond_atomtype C2
What is here the problem? All atom types should be declared by me, I guess.
Thanks for helping me
Greetings
Lara
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