[AMBER] FATAL Error Issue

From: Tamsila Parveen via AMBER <amber.ambermd.org>
Date: Wed, 21 Sep 2022 13:12:02 +0500

Dear AMBER Members,
There is an issue when I am saving amberparams for prmtop and inpcrd files,
amber does not read ligand molecules' few atoms in complex file and
generate following errors

FATAL: Atom .R<UNL 740>.A<N 1> does not have a type.
FATAL: Atom .R<UNL 740>.A<C 2> does not have a type.
FATAL: Atom .R<UNL 740>.A<O 3> does not have a type.
FATAL: Atom .R<UNL 740>.A<F 4> does not have a type.
FATAL: Atom .R<UNL 740>.A<S 5> does not have a type.
Kindly answer me how can I resolve this issue


Regards 
-- 
*******************************************************************
*Tamsila Parveen*
*Lecturer*
Department of Biosciences
COMSATS University, Sahiwal Campus
COMSATS Road, Off GT Road, Sahiwal
*https://www.linkedin.com/in/tamsila-parveen/
<https://www.linkedin.com/in/tamsila-parveen-160b545b/>*
*********************************************************************
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 21 2022 - 01:30:03 PDT
Custom Search