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 - 11:00:02 PDT
