[AMBER] Seek a solution for can't generate the mol2 files for the metal site residues

From: Huimin Tian <201921150072.mail.bnu.edu.cn>
Date: Thu, 27 May 2021 09:33:33 +0800 (GMT+08:00)

Hi, my name is Huimin Tian,comes from Beijing Normal University,China.
I have a problem when performing the final modeling using AMBER.
I can't generate the mol2 files for the metal site residues with the command:MCPB.py -i 4ZF6.in -s 3,
and there is hint: ValueError: could not convert string to float: '3.695731-10.570212'.
So, how can I solve it?












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Received on Wed May 26 2021 - 19:00:03 PDT