From: wang (c00jsw00_at_nchc.org.tw)
Date: Mon Jun 05 2006 - 21:38:18 CDT
Dear all ,
I am confused abot the setting of PMF . This is my setting for tutorial
case (10 ALA pepetide) and error message .
Could you tell me how to fix the error ?
Thx
Wang
________________________________________________________________________
setting
...............
freeEnergy on
freeEnergyConfig {
urestraint {
dist pmf (BH, 1, N) (BH, 10, NT) kf=7.2 low=13 hi=33
}
pmf {
task = grow
time = 10 ps
}
pmf {
task = up
time = 200 ps
print = 1 ps
}
pmf {
task = stop
time = 10 ps
}
pmf {
task = down
time = 200 ps
print = 1 ps
}
}
run 1000000
_______________________________________________________________________________
error
Info: ***********************************
FreeEnergy: Not enough steps to complete pfm & mcti blocks
FreeEnergy: Num Steps Needed = 420004
FreeEnergy: Num Steps Requested = 0
FATAL ERROR: FreeEnergy: Fatal Run-Time Error
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: FreeEnergy: Fatal Run-Time Error
Charm++ fatal error:
FATAL ERROR: FreeEnergy: Fatal Run-Time Error
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:08 CST