VMD-L Mailing List

From: oguz gurbulak (gurbulakoguz_at_REMOVE_yahoo.com)
Date: Sun Apr 05 2015 - 16:54:50 CDT

DearAll,

 

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 ?

 

Regards.

 >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)  %