[gmx-users] grompp erro

[Albert]

Hello:
I am running command: grompp -f sample.mdp -c merge.pdb -p topol.top -o 
input.tpr -n

but it failed with following messages:


NOTE 1 [file sample.mdp]:
   Setting nstcalcenergy (100) equal to nstenergy (50)


NOTE 2 [file sample.mdp]:
   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting
   nstcomm to nstcalcenergy

Generated 71623 of the 71631 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 1
Generated 45719 of the 71631 1-4 parameter combinations

ERROR 1 [file topol.top, line 23560]:
   No default U-B types


thank you very much.

Albert