[gmx-users] gibbs calculation

Raag Saluja saluja.raag at gmail.com
Sun Apr 8 12:56:35 CEST 2018

I was calculating the Gibbs' free energy of the tubulin heterodimer and
gave the command:

gmx grompp -f /Applications/md/tutorial/gibbs/MDP/EM/em_steep_0.mdp -c
/Applications/md/tutorial/gibbs/1TUB_solv.gro -p
/Applications/md/tutorial/gibbs/topol.top -o min0.tpr

I got this error:

WARNING 1 [file topol_Protein_chain_A.itp, line 2]:

  Too few gb parameters for type "

Couldn't find topology match for atomtype "

Abort trap: 6

Looking forward to your kind help!


More information about the gromacs.org_gmx-users mailing list