VMD-L Mailing List
From: oguz gurbulak (gurbulakoguz_at_REMOVE_yahoo.com)
Date: Sun Apr 05 2015 - 16:54:50 CDT
Iwanted to compute the average values of TOTAL, TEMP, PRESSAVG and VOLUME withusing “namdstats.tcl” script for a NPT run. But I got theerror “can't read "ts(0)": no such variable”.How can I solve this problem ? Could you please help me about this issue ?
>Main< (A) % source namdstats.tclUsage: data_avg <logfile>[<first timestep> <last timestep>]
<first timestep> and<last timestep> may be entered as numbers or
<first timestep> ='first' will start at the beginning of the simulation
<last timestep> ='last' will go to the end of the simulation
Usage: data_time <data stream><logfile> [<first timestep> <last timestep>]
<data stream> = BOND,ANGLE, DIHED, IMPRP, ELECT, VDW, BOUNDARY, MISC, KINETIC, TOTAL, TEMP, TOTAL2,TOTAL3, TEMPAVG
>Main< (A) % data_avg namd_1.out Calculating averages...
can't read "ts(0)": no suchvariable
>Main< (A) %