Re: [AMBER] MCPB.py error (MCPB.py -i 4ZF6.in -s 1) use default ions 7440

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From: Pengfei Li <ambermailpengfei.gmail.com>
Date: Thu, 27 Jul 2017 15:15:48 -0400

Hi Rana,

These links could be helpful to solve the problem: https://www.researchgate.net/post/How_can_I_circumvent_Bend_failed_for_angle_errors_in_Gaussian <https://www.researchgate.net/post/How_can_I_circumvent_Bend_failed_for_angle_errors_in_Gaussian>, http://server.ccl.net/chemistry/resources/messages/2014/09/03.002-dir/index.html <http://server.ccl.net/chemistry/resources/messages/2014/09/03.002-dir/index.html>.

Kind regards,
Pengfei

> On Jul 17, 2017, at 3:45 PM, Rana Rehan Khalid <rrkhalid.umich.edu> wrote:
>
> Tors failed for dihedral

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Received on Thu Jul 27 2017 - 12:30:03 PDT