From: Arturas (in_ubique_at_yahoo.com)
Date: Thu Aug 30 2012 - 13:45:14 CDT
Hi everyone,
I tried running tabulated potential among particles; mostly testing the approach. I have created energy file. In configuration file I have added - as directed in the manual:
...
NBTABLE
GLJ GLJ GG
GLJ WLJ GW
tabulatedEnergies yes
tabulatedEnergiesFile ../tabpot-01.dat
tableInterpType linear
...
But namd spits:
Reason: FATAL ERROR: error parsing config file
while executing
"NBTABLE"
(file "test1.namd" line 40)
Charm++ fatal error:
FATAL ERROR: error parsing config file
while executing
"NBTABLE"
(file "test1.namd" line 40)
If I comment-out those NBTABLE lines - namd runs, but not sure if it does what I expect.
Do I miss any syntax or format? Tried to search mailing list and tutorials- did not find anything regarding that.
Art
PS. namd 2.9 64 multicore / opensuse. All other namd cases run fine.
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