Hi,
I am trying to calculate the binding free energy of protein dimer.
When I try to save the topology and coordinate files in tleap using
saveamberparm I keep running into the error
Checking Unit.
FATAL: Atom .R<ZN 2>.A<ZN 1> does not have a type.
FATAL: Atom .R<CL 53>.A<CL 1> does not have a type.
FATAL: Atom .R<CL 54>.A<CL 1> does not have a type.
FATAL: Atom .R<CL 55>.A<CL 1> does not have a type.
FATAL: Atom .R<ZN 119>.A<ZN 1> does not have a type.
Failed to generate parameters
Parameter file was not saved.
I am working on AMBER 14. I tried loading the atomic_ions.lib, but that
doesn't seem to work. Can anyone help me with this?
--
Thank You and Regards,
Aishani Chittoor Prem
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Received on Tue Mar 28 2017 - 18:30:02 PDT
