[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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