TCL: force not a vector

From: Peter Jones (Peter.Jones-2_at_uts.edu.au)
Date: Tue Jul 10 2007 - 21:39:04 CDT

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Hello all,

I am running a simulation with some tcl restraints. I have run it for 500K steps with tcl forces on with no problems. I then
continued the simulation using a subset of the first restraints and after 50000 steps I get the following error-

TCL: force not a vector
FATAL ERROR: force not a vector
    while executing
"addforce $aid21 [vecscale $g16 $MG15]"
    (procedure "calcforces" line 53)
    invoked from within
"calcforces"

All the energies seem fine and the conformation of the atom referred to in the error appears normal. The tcl forces are
contained in a script (attached) which is based on that in the manual. I am very puzzled by this, any help would be greatly
appreciated,

thanks,

Peter Jones

• application/octet-stream attachment: tcl_forces_E

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