From: Arturas Ziemys (ziemys_at_chbmeng.ohio-state.edu)
Date: Tue Jan 02 2007 - 09:52:53 CST
Hi,
I am using Tcl BC script. In the first loop with [nextatom] I calculate property, and with second repeated loop I calculated force depending on the property I have calculated in the first loop of atoms:
tclBCScript {
.....
while {[nextatom]} {
<analyze coords>
}
while {[nextatom]} {
<apply force>
<do output to log file>
}
}
However, I am not able 'print' or 'puts <file>' any information. I tried to output some data to variable and pass it for printing outside the second [nextatom] loop, but it seems that I'm also not able to reassign variable to outside of loop defined variable. It looks like second call of [nextatom] loop is terminated at the beginning?
Is any limitation of how many times I can invoke [nextatom] loop ?
How can I store any variable or data to read in the next step (without writing/reading file) ?
Arturas
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