[gmx-users] Problem with energy min. in membrane tutorial
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
Has anyone had any similar problem?
I would appreciate some help if possible.
More information about the gromacs.org_gmx-users