Re: [AMBER] Error come after executing this command MCPB.py -i 4ZF6.in -s 2

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: Pengfei Li <ambermailpengfei.gmail.com>
Date: Thu, 27 Jul 2017 15:31:46 -0400

Hi Rana,

The error message is clear:

> pymsmt.exp.pymsmtError: There is no 'Cartesian Force Constants' found in
> the fchk file. Please check whether the Gaussian jobs are finished
> normally, and whether you are using the correct fchk file.

Kind regards,
Pengfei

> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 27 2017 - 13:00:01 PDT