Just to clarify: I am using ff12sb so I thought params are called from parm10.dat and frcmod12SB.
waiting for your reply.
thanks!
On Aug 6, 2014, at 6:26 PM, Mohammad Salem <mohammad.alaraby.gmail.com> wrote:
> Hi All,
>
> I am a bit confused on how the parameter for the dihedral angle: O -C -N -CX is called from, say, PARM10.dat
> I can’t find that exact torsion. What I can find is: X -C -N -X as follows:
>
> X -C -N -X 4 10.00 180.0 2. AA,NMA
>
> Why is it then 180 and not 0?
>
> Thanks in advance for your reply.
>
> Regards,
>
> Mohammad
>
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Received on Wed Aug 06 2014 - 18:00:02 PDT
