Re: [AMBER] CX1 missing connect0 atom._MCPB

From: Pengfei Li <ambermailpengfei.gmail.com>
Date: Wed, 10 May 2017 17:45:08 -0500

Hi Abhi,

This is normal. Since you have a mol2 file for the CX1 residue, in which there is no connect0 and connect1 atoms information. And if you have used bond command to bond the CX1 to its former and later neighboring residues (the MCPB.py automatically generated LEaP input file has that part, but it is better to double check), that would be fine.

Kind regards,
Pengfei

> On May 10, 2017, at 2:24 PM, Thakur, Abhishek <axt651.miami.edu> wrote:
>
> Hi I am trying to generate parameters using after generated parameter files from MCPB.
>
> But as soon I am loading my file into tleap to make a complex I am getting an error
>
>
>> mol = loadpdb 3pm0_mcpbpy.pdb
> Loading PDB file: ./3pm0_mcpbpy.pdb
> One sided connection. Residue: CX1 missing connect0 atom.
> One sided connection. Residue: default_name missing connect1 atom.
>
>
> Kindly suggest me how to overcome this problem
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Received on Wed May 10 2017 - 16:00:03 PDT
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