[gmx-users] ions.itp => no BR- ion defined (FF_Gromos 96)

[Chih-Ying Lin]

HI
BR- ion is defined in FF_OPLS.
Could I mix two force fields, FF_Gromos 96 and FF_OPLS, in my system?


; full atom descriptions are available in ffoplsaa.atp
; name  bond_type    mass    charge   ptype          sigma      epsilon
opls_402   Br- 35   79.90400    -1.000       A    4.62376e-01  3.76560e-01


Does it make sense?

Thank you
Lin








Chih-Ying Lin wrote:
> Hi
> In the ions.itp, there is no BR- ion defined  (FF_Gromos 96).
>
> But, it was defined in FF_OPLS.
>
> How did people solve the problem?
> Could I simply use all of  BR-atom (assign it a -1 charge) non-bonded
> parameters in FF_Gromos96 instead?
>