[gmx-users] Multiple torsional parameters

[Pedro Alexandre Lapido Loureiro]

> One way is that you can specify one of the torsional in the topological
> file, or in the the building unit (residue files), such as
> 
>  [ impropers ]
>      N    CA    -C     H  improper_X_X_N_H_
> then you can define yourself what the improper_X_X_N_H_ can be.A
> 
> 
> Dr. Yuguang Mu
> Institute for Physical and Theoretical Chemistry
> J.W. Goethe University Frankfurt am Main
> Marie Curie Str. 11
> 60439 Frankfurt/Main, Germany
> Tel: +49-(0)69-798-29711
> 

Thank you for your reply!
But I need two "definitions" for a single dihedral.
This gromacs seems not to accept.

--
Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil