[AMBER] 回复: Errors during Building Sidechain Model(MCPB program)

From: wjli <wenjuanli93.gmail.com>
Date: Sun, 18 Jan 2015 19:04:46 +0800

Hi pengfei,

I'm very grateful for your reply.
>For this step, I think it is a problem met during adding the hydrogens. You can add the hydrogen first by using another tool
>and then based on that step to do the following modeling. I have changed that part in the script attached.
It worked.I uesd AmberTools to addHs.But you should change the pdb file a little,because MCPB automatically assign CYS to CYX and perceive residue setting to another residue name(such as HIS to HID ,CYS to CYM).

2.I get the same error when I changed the number of Cu .

I look forward to your reply.

Best wishes,
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Received on Sun Jan 18 2015 - 03:30:02 PST
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