[gmx-users] Fwd: amber03 force field

[Elisa Frezza]

Dear All,

I am starting to use amber03 force field, but I have found something very
strange for proper angle dihedral.

On the basis of definition of proper dihedral function in AMBER and GROMACS
manual I aspect that the following conversion from amber to gromacs:

k_n(GROMACS)=4.18/k V_n (AMBER)

where n= multiplicity.

If I compare ffbonded.itp file in ffamber03 folder and the parameter
reported in amber I find something very strange and I do not understand
what it is right:

                                               constant       angle
 multiplicity
AMBER:   X   C    CN    X            8.00         180                 2
GROMACS

-- 
Elisa Frezza
Ph.D. Student in Materials Science and Engineering
Dipartimento di Scienze Chimiche
Università di Padova
via Marzolo, 1
35131 Padova - Italy
Phone: +39 049 827 5149
Skype: elisa.frezza
Emai: elisa.frezza at gmail.com
         elisa.frezza at studenti.unipd.it





-- 
Elisa Frezza
Ph.D. Student in Materials Science and Engineering
Dipartimento di Scienze Chimiche
Università di Padova
via Marzolo, 1
35131 Padova - Italy
Phone: +39 049 827 5149
Skype: elisa.frezza
Emai: elisa.frezza at gmail.com
         elisa.frezza at studenti.unipd.it