Hi, Bill
The Error happened for the second Cu, but the the first one can cope and add as a residue. I have check the parameters form MTK++, they are similar and the angle parameters have defined for CU.
Yuanqiang
王远强
教师
重庆理工大学/教师邮箱/药学与生物工程学院
重庆市巴南区红光大道69号
------------------ Original ------------------
From: "Bill Ross"<ross.cgl.ucsf.edu>;
Date: Thu, Jan 7, 2016 12:47 PM
To: "AMBER Mailing List"<amber.ambermd.org>;
Subject: Re: [AMBER]Errors during Building Sidechain Model（MCPB program）
It sounds like MTK++ wants angle parameters for a bonded CU, and these
haven't been provided as they are by default for ZN.
Bill
On 1/6/16 8:38 PM, 王远强 wrote:
> Dear Amber members,
> I have created metal ion force field（containing two CU）successfully. This time, I need to build force field with three copper ions. During the Building Sidechain Model step,following errors:happened (about the second CU):
> If I repleace the Cu with Zn in the protein, the MCPB can work perfectly. The attachments are original files (including pdb with Cu or Zn), please check.
> I am look forword to your reply.
> Yuanqiang
>
> 1.### ### ### ###
> ### MTK++ Error ###
> ### Function: connections::assignStdAngles ###
> ### Message: Please assign angles before assigning MM parameters for molecule: CU
> ### ### ### ###
>
>
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Received on Wed Jan 06 2016 - 21:00:07 PST
