From: James Servantie (cservantie_at_sabanciuniv.edu)
Date: Thu Sep 17 2009 - 05:54:21 CDT
Hello,
I have a problem with tclforces, I can't load forces somehow while I have
no problem with the coordinates or masses, here is a simple script:
set natom 819
set index {}
for { set i 1 } { $i <= $natom } { incr i } {
lappend index $i
}
foreach atom $index {
addatom $atom
}
proc calcforces { } {
global index natom
loadcoords coordinates
loadforces forces
puts "$coordinates(1)"
puts "$forces(1)"
}
and the output:
22.3898717165 17.705164787 3.10166669763
TCL: can't read "forces(1)": no such variable
FATAL ERROR: can't read "forces(1)": no such variable
loadtotalforces gives the same error, what am I doing wrong?
I'm using NAMD-2.6.
thank your for your help,
James
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