[gmx-users] Grompp error

[Dallas Warren]

>WARNING 1 [file "pope.itp", line 234]:
>  No default Proper Dih. types, using zeroes

A possibility:

If you go to that line number in pope.itp there will be some atom numbers, 
four in fact, defining the dihedral.  Take note of the central two, then go 
up to the top of the topology file and find out what atom typess they 
are.  The issue is that within the forcefield you are using, there is not a 
dihedral defined between these two atoms types.  Could be it is missing or 
the atoms names are slightly different for some reason.  So, you either 
have to add it into the forcefield or change the atom type to what it 
should be.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
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