From: Raymond C. Fort Jr. (rcfort_at_maine.edu)
Date: Thu Oct 16 2003 - 12:13:35 CDT
I'm still working through the namd tutorial from the web site. While
attempting to run the ubq-get-energy.conf simulation, I get the following
error message:
[rcfort_at_pemetic 2-5-spec_heat]$ Fatal error on PE 0> FATAL ERROR: can't use
empty string as operand of "!"
while executing
"while { ![coorfile read] } {
incr i 50 ;#since the dcd was saved every 50 steps in the ubq-nvt
simulation
firsttimestep $i
run 0
}"
(file "ubq-get-energy.conf" line
155)
The ubq-nvt-prot.dcd file is definitely present, all 88 MB of it.
Any suggestions?
Ray
Professor Ray Fort Jr. Voice: (207)-581-1180
Department of Chemistry FAX: (207)-581-1191
University of Maine EMail: rcfort_at_maine.edu
Orono, ME 04469 Web:
chemistry.umeche.maine.edu/fort.html
Molecular modeling of organic and biological molecules; chemistry of lignin
and cellulose
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