From: Leonardo Sepulveda Durán (leonardosepulveda_at_gmail.com)
Date: Wed May 25 2005 - 15:43:28 CDT
Reemplazing the grep statement at line 126 worked well, Thanks. I
realized also if I want to create a table with all the values with
the command
namddat BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL
TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG
GPRESSAVG din.log
It gives an error. Actually only works with
namddat BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL din.log
Or any combination of 10 variables. Looking at the script if the line
113 is changed from
set l_cmd = ( 0 0 0 0 0 0 0 0 0 0 )
to
set l_cmd = ( 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 )
It allows printing all the variables to a table. I hope it would be useful.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:40:47 CST