[gmx-users] mdrun -nsteps

[Sabine Reisser]

Hi,

just to be sure: is it intended, that the -nsteps option in mdrun (which 
is a great feature in general!) actually appends the given number of 
steps rather than overriding the mdp option?
This is what I do:
- grompp with mdp file with 5000 steps
- mdrun
- mdrun -nsteps 10000 steps

The second mdrun runs until 15000 steps, not 10000 steps. Is this 
intended? If yes, the option description is somewhat misleading.

Cheers
Sabine


-- 
Dipl. Phys. Sabine Reißer
Karlsruhe Institute of Technology (KIT)
Institute of Physical Chemistry

Phone +49 (0) 721 / 608-45070