Dear Amber users,
I am trying to simulate a calcium binding protein with bound calcium.
ff99SB force field am using for that. At the first step itself, am getting
following error. Although, I specified the correct atom type for calcium
ions, still it is unable to recognize it.
Please advise how to counteract the problem. I need the solution urgently.
Please help me. Thanks for the help.
With best regards,
Sunita
===================
WARNING: The unperturbed charge of the unit: -2.000000 is not zero.
FATAL: Atom .R<Ca 92>.A<C0 1> does not have a type.
FATAL: Atom .R<Ca 93>.A<C0 1> does not have a type.
Failed to generate parameters
Parameter file was not saved.
Quit
===================
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Received on Mon Feb 11 2019 - 23:30:02 PST
