[gmx-users] How to define simulation time in mdp file?

[Anirban Ghosh]

Hi All,
Can anyone please tell me how to define simulation time in a mdp file. I have the following mdp file and I want to run a simulation for 50 nano seconds. How should I define it in this mdp file?

;
;    User spoel (236)
;    Wed Nov  3 17:12:44 1993
;    Input file
;
cpp                  =  /usr/bin/cpp
define              =  -DFLEX_SPC
constraints       =  none
integrator         =  steep
nsteps             =  1000
;
;    Energy minimizing stuff
;
emtol               =  100
emstep            =  0.01

nstcomm         =  1
ns_type           =  grid
rlist                  =  1
rcoulomb         =  1.0
rvdw                =  1.0
Tcoupl             =  no
Pcoupl             =  no
gen_vel            =  no

Any suggestion is welcome.

Regards,


 
  Anirban Ghosh
  M.Tech Bioinformatics
  University of Hyderabad
  Hyderabad - 500 046
  Andhra Pradesh
  India

       
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