I'd try loading the ion params before addIons, just in case.
Bill
On 7/22/19 11:00 AM, shivangi agarwal wrote:
> 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 - 13:00:02 PDT
