Re: [AMBER] Error for copper atom type

From: Elvis Martis <elvis_bcp.elvismartis.in>
Date: Wed, 30 Nov 2016 11:10:10 +0530

Are y ou loading the parameters for Cu in leap??
Please see this papers,
Evaluation of Amber force field parameters for copper(II) with
pyridylmethyl-amine and benzimidazolylmethyl-amine ligands: A quantum
chemical study
.
10.1016/j.cplett.2008.03.004
<http://dx.doi.org/10.1016/j.cplett.2008.03.004>
.
Evaluations of AMBER force field parameters by MINA approach for
copper-based nucleases. 10.1007/s11224-016-0764-3
Also look at this Amber tutorial
http://ambermd.org/tutorials/advanced/tutorial1_adv/
​

Regards

*Elvis Martis* Ph.D. Student, Bombay College of Pharmacy
[image: photo] Email: elvis_bcp.elvismartis.in <elvis_bcp.elvismartis.in>
Website: http://www.elvismartis.in <http://www.elvismartis.in/>
group website: http://www.profeccoutinho.net.in/
Address:
​
 Kalina, Santa Cruz [E]
​, Mumbai, 400 098, INDIA​

Alt. e-mail: emartis12.live.com
<https://in.linkedin.com/in/elvisadrianmartis>


On 30 November 2016 at 07:56, Shreeramesh <shreeramesh.gmail.com> wrote:

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> Dear Amber user,
>
> Can you please tell me the atom type for Copper in AMBER simulation. When I
> run the system, the following error was obtained
>
>
>
>
> FATAL: Atom .R<*** 1>.A<CU 1> does not have a type.
> Failed to generate parameters
> Parameter file was not saved.
> Writing pdb file: com_solvated.pdb
> Quit
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Received on Tue Nov 29 2016 - 22:00:03 PST