Yes I have loaded
solvateBox com TIP3PBOX 10.0
loadoff ions94.lib
addions com Na+ 6
loadamberparams frcmod.ionsjc_tip3p
saveamberparm complex complex-box.prmtop complex-box.inpcrd
Then getting error as mentioned above..
On Mon, Jul 22, 2019, 11:25 PM James Kress <jimkress_58.kressworks.org
wrote:
> Did you load the solvent and did the solvent file contain ion parameters?
>
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> -----Original Message-----
> From: shivangi agarwal <shiviagarwalpharma.gmail.com>
> Sent: Monday, July 22, 2019 12:30 PM
> To: AMBER Mailing List <amber.ambermd.org>
> Subject: [AMBER] Error in preparing system using AmberTools19
>
> Hello everyone
>
>
> I have newly installed AmberTools19 on my system.
> When I am preparing my system for equilibration, I am getting error
> messages
> when I am saving prmtop and inpcrd after neutralizing my system.
> In this case there was -6 charge, so I have added Na+ 6 to neutralize it.
> And when I am saving prmtop and inpcrd, i am getting error as:
> 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).
>
> Even, when I am adding Cl- to another system, getting same error for cl-.
> Can somebody suggest where the problem is?
> Is the AmberTools19 has not been correctly installed?
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Received on Mon Jul 22 2019 - 11:30:02 PDT
