[gmx-users] RE: logfile size

[lloyd riggs]

Dear All,

Hope this is not tooo stupid a question.  I recenttly reduced my file sizes by increasing the time between writing.  However, if I do an Umbrella run I get the following to my logfile output, which makes my log file in the end larger than my trajectory;

....
  Dispersion correction          V -5.49759e+03  dVdl  0.00000e+00
  Dispersion correction          V -5.49756e+03  dVdl  0.00000e+00
  Dispersion correction          V -5.49753e+03  dVdl  0.00000e+00
  Dispersion correction          V -5.49750e+03  dVdl  0.00000e+00
  Dispersion correction          V -5.49747e+03  dVdl  0.00000e+00
  Dispersion correction          V -5.49744e+03  dVdl  0.00000e+00
  Dispersion correction          V -5.49741e+03  dVdl  0.00000e+00
  Dispersion correction          V -5.49738e+03  dVdl  0.00000e+00
  Dispersion correction          V -5.49735e+03  dVdl  0.00000e+00...

Does anyone know how to turn this off for the logfile, I get one of these for each step, instead of for each write step?  My write portion of the .mdp file is;

nsteps      = 20000000     ; 2 * 50000 = 100 ps
dt          = 0.0002     ; 2 fs
tinit       = 0
; Output control
nstxout     = 100000      ; save coordinates every 0.2 ps
nstvout     = 100000       ; save velocities every 0.2 ps
nstenergy   = 100000       ; save energies every 0.2 ps
nstcalcenergy  = 100
nstfout     = 100000
nstlog      = 100000       ; update log file every 0.2 ps
nstxtcout   = 100000


Any quick help is appriciated.

Sincerely,

Stephan Lloyd Watkins
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