On Thu, Jun 27, 2019, Sadaf Rani wrote:
>However I get error of LINMIN FAILURE as follows
>
> NSTEP ENERGY RMS GMAX NAME NUMBER
> 3600 -5.0525E+05 7.6371E-03 1.2839E+00 C7N 7936
>
>Can anyone please suggest me the solution?
This happens because, in general, there is no reason to minimize to lower RMS
gradients, if you are using minimization as a prelude to MD.
So the "solution" is to ignore this message and continue on.
....dac
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Received on Fri Jun 28 2019 - 05:30:02 PDT
