[gmx-users] problem with the output file of g_density

OZGE ENGIN OZENGIN at KU.EDU.TR
Mon Jun 4 12:47:40 CEST 2007


Dear gromacs-users,

I have a problem with the output file of g_density. It uses .tpr and .trr files in order to make calculations. I have made the .trr file using the parameters below. Since total step size is 1000000 and I have written the coordinates at each 50 steps, I expect to have more than 50 values in the output file of g_density; but there are only 50. Why is this the case?

Thank in advance ...

Ozge 

dt                  =  0.002	;ps
nsteps              =  1000000	
nstcomm             =  1
nstxout             =  50
nstvout             =  0
nstfout             =  0
nstlist             =  10
ns_type             =  grid
; Output frequency for energies to log file and energy file =
nstlog                   = 50
nstenergy             = 50





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