[gmx-users] Question about the dihedral potential ....

Sergio Garay sgaray at fbcb.unl.edu.ar
Wed Apr 18 13:38:01 CEST 2007


Hi to all

I've checked all the answers in the gmx list about this item, but I still 
don't know if it is possible to describe a dihedral behavior with more than 
one potential function. In one answer I understood that it is posible, but 
when I try to run grompp it does not process the topology, giving me the 
follow answer:

Fatal error:
Incorrect number of parameters - found 4, expected 3 or 6.

Please, if this is posible, could someone tell how I should do it.

Thank you in advance.

-- 
Sergio Garay
Facultad de Bioquimica y Cs. Biológicas
Santa Fe (3000) Argentina
Casilla de Correo 



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