Hi, I figured out that the correct format is " /" not "/". The manual example is not clear on this matter. Genzo
> From: gmastanaka.msn.com
> To: amber.ambermd.org
> Date: Mon, 30 Apr 2012 12:16:36 -0400
> Subject: [AMBER] input format for qms
>
>
> Hi,
> What is the correct format of qms in AmberTools12?
> I seemed to follow the example in the manual, but still got the error:
> % sqm -O -i chn01yjpsqm.in -o chn01yjpsqm.out &
> % Error in finding end of qmmm namelist
> My input is as follows:
> % more chn01yjpsqm.in&qmmm qm_theory='PM3', qmcharge=0,/ 7 N -15.710 12.083 5.949 1 H -15.268 11.750 6.794 1 H -16.549 12.559 6.240 ...
>
> Adding the blank line before "/", or changing "/" to "&end" yielded the same error.
> I need your help.
> Thanks,
> Genzo
>
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Received on Mon Apr 30 2012 - 21:00:02 PDT
