[gmx-users] Problem with energy min. in membrane tutorial

Ragnarok sdf fabracht1 at gmail.com
Mon May 4 21:49:03 CEST 2009

Hello, I was following the steps in Justin Lemkul's tutorial for
insertion of a protein in a lipid bilayer and have come accross a
problem right after using inflategro's script from Tieleman's website.
It says there that I should run an energy minimization and then
continue with the steps of the tutorial. Well, I have used the output
structure from inflategro to run an energy minimisation using
grompp/mdrun using a steepest descent algorithm. The problem is that
when I type the command:

grompp -f em_steep.mdp -c inflatedbilayer.gro -p topol.top -o

The following errors appear:

ERROR 1 [file topol.top, line 523]:
  No default G96Angle types

ERROR 2 [file topol.top, line 794]:
  No default Proper Dih. types

It seems that I have made some mistake with the forcefield's parameter
files, but I have tried to do everything all over again and the same
errors occur.
Has anyone had any similar problem?
I would appreciate some help if possible.
Thank you
Fabrício Bracht

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