All you have to do is to create a frcmod file with the parameters you
need. You can estimate those parameters by looking at the parm99 and
gaff parameters. Then you can load both of the .dat files + your frcmod
files to get all the parameters you need.
Sebastien Osborne
University of Ottawa
Guillaume Bollot wrote:
> Dear Users,
> I have a problem with a macro molecule which contains organic and
> proteinic parts. I used GAFF force field for organic (poly phenyls)
> part and PARM99 for protein but when I check my unit, Xleap give me an
> error message :
> "Could not find bond parameters for : C - c...... etc....." for example.
>
> My problem can be solved in AMBER7? Is it possible to combine force
> fields? So yes or not how to do that?
>
> Please help me because I don't any more what to do!!
> Thanks a lot for your answers
>
> Guillaume Bollot, University of Geneva.
>
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Received on Fri Sep 17 2004 - 17:53:00 PDT
