[gmx-users] RE: [gmx-user]Error by pdb2gmx (Dallas

Dallas B. Warren Dallas.Warren at pharm.monash.edu.au
Wed Jun 2 06:32:39 CEST 2010

> I think Dallas might have been thinking of a different file; function
> types are
> not required in individual .rtp entries, but you do have to have a
> proper
> [bondedtypes] directive at the top of your .rtp file.  A few other
> comments:

Yes, sorry.  In my case I define the type in the various bond sections within the .rtp file for house-keeping reasons, and isn't actually required.  Saw that missing in yours and though that was an issue. 

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
When the only tool you own is a hammer, every problem begins to resemble a nail.

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