hi
Thanks for all the prevous guidance but i need to ask something.
I am doing simulations of a dimer. howeever, i want to restrain
movement of few atoms during simulation.but when i look at the output
file it seems to me as if the command is not accepted. and so the
atoms are not restrained.
my input file and output file are attached.
please guide me
thanks
deepti
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Received on Wed Apr 04 2007 - 06:07:25 PDT