Hi,
Please check if the atom names in your coordinate file and the database matches.
Leap cannot assign atoms types if their names don't match the names in the database.
Best Regards
Elvis Martis
Ph.D. Student (Computational Chemistry)
at Bombay College of Pharmacy
A Kalina, Santacruz [E], Mumbai 400098, INDIA
W www.elvismartis.in
Skype. adrian_elvis12
-----Original Message-----
From: Aishani Prem [mailto:aishaniprem.gmail.com]
Sent: Wednesday, March 29, 2017 6:52 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] Error: FATAL: Atom .R<ZN 2>.A<ZN 1> does not have a type.
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 - 21:30:04 PDT
