[gmx-users] Switching Group to Verlet

Mahmood Naderan mahmood.nt at gmail.com
Fri Oct 21 16:34:30 CEST 2016


One more question.
Currently, gromacs prints the output on every step!

Step=  159, Dmax= 3.8e-03 nm, Epot= -8.39592e+05 Fmax= 2.45536e+03, atom=
2111
Step=  160, Dmax= 4.6e-03 nm, Epot= -8.39734e+05 Fmax= 4.30685e+03, atom=
2111
Step=  161, Dmax= 5.5e-03 nm, Epot= -8.39913e+05 Fmax= 3.78613e+03, atom=
2111

Can you please tell me how to increase the print step? What is the
appropriate switch for that?


Regards,
Mahmood


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