restartfreq question....

From: Dr. Luis Rosales León (ludwig_at_laguna.fmedic.unam.mx)
Date: Thu Aug 07 2008 - 16:31:54 CDT

Hi all!!

just wondering...
It is possible to change, in the middle of a run, some parameters related
to the frequency namd uses to save files/give output??

Someting like:

restartfreq 2500
dcdfreq 2500
xstFreq 2500
outputEnergies 2500
outputPressure 2500

###################
## EXECUTION SCRIPT ##
###################

run 1000000

restartfreq 500 ; #1000 steps = every 1 ps
dcdfreq 500
xstFreq 500
outputEnergies 500
outputPressure 500

run 1000000

I have tried to do so, but I get a:
FATAL ERROR: Setting parameter restartfreq from script failed!

so I am wondering if it is possible or I am just doing it the wrong way...

Thanks!!

Luis

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