[gmx-users] Simulation ended prematurely, no performance report will be written- Minimization

Alex Mathew alexmathewmd at gmail.com
Tue Jun 27 16:02:44 CEST 2017


Dear all,

I'm trying to minimise the CGMD system and end up with an error Steepest
Descents converged to machine precision in XX steps,
but did not reach the requested Fmax < XX.  I tried double precision and
feed the *.gro file as the initial structure but the result was same. There
were no overlaping in the *.gro file , I have attached the *.log file in
the below link.

​​
https://drive.google.com/file/d/0Bzs8lO6WJxD9cFhmWTQwRXdtN2c/view?usp=sharing


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