On Mon, August 23, 2010 12:12 PM, Eudes Fileti <fil...@ufabc.edu.br> wrote:
> Well, the line 40 is just one of the 36 parameters not found! > In this link ( https://sites.google.com/site/fileti/ ) I put > the complete files. > I know I need to determine which bond type should be called > and I believe that it has been done, but I don't know why > it's not being found. Well, I'm not Justin, but as I look at your topology, I see that you have a bond from atom 3, type CC322, to atom 6, also type CC322. However, when I look at the parameters you give in the bondtypes section, I cannot find a CC322 CC322 bond defined. Either the entry is missing or you did not post a complete set of force field entries. Missing entries might be the cause of theother parameters not found as well, which is what was suggested to you previously. -- Bruce D. Ray, Ph.D. Associate Scientist IUPUI Physics Dept. 402 N. Blackford St. Indianapolis, IN 46202-3273
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