You forgot load parameters for ions
source leaprc.water.tip3p
Best Regards
Elvis Martis
On Fri, 12 Jul 2019 at 14:21, shivangi agarwal <shiviagarwalpharma.gmail.com>
wrote:
> While saving prmtop and inpcrd, after solvation and addition of ions(Na+
> 6), I am getting error as
>
> saveAmberParm com see-box.inpcrd see-box.prmtop
> Checking Unit.
> Building topology.
> Building atom parameters.
> Error: For atom (.R<Na+ 9705>.A<Na+ 1>) could not find vdW (or other)
> parameters for type (IP)
> Error: For atom (.R<Na+ 9706>.A<Na+ 1>) could not find vdW (or other)
> parameters for type (IP)
> Error: For atom (.R<Na+ 9707>.A<Na+ 1>) could not find vdW (or other)
> parameters for type (IP)
> Error: For atom (.R<Na+ 9708>.A<Na+ 1>) could not find vdW (or other)
> parameters for type (IP)
> Error: For atom (.R<Na+ 9709>.A<Na+ 1>) could not find vdW (or other)
> parameters for type (IP)
> Error: For atom (.R<Na+ 9710>.A<Na+ 1>) could not find vdW (or other)
> parameters for type (IP)
> Warning: Parameter file was not saved.
>
> Can anyone suggest?.
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Received on Fri Jul 12 2019 - 02:30:02 PDT
