> 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 [email protected] +61 3 9903 9167 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail.
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php

