http://server.ccl.net/cca/software/SOURCES/to_do_2/xyz2rgb/verlet-fun/verlet/plot-it.shtml |
CCL plot-it | ||||
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rm -f data menu << End | sed 's/\[//g' | gawk '{print $1,$2-$5}' > data atom c-sp3 0 -0.076 0 0 # two uncharged carbon atoms atom c-sp3 0 0.076 0 0 length 0 1 # joined by a sigma bond spring-damper 0 1 2.0e4 0.3 100 # and a spring-damper every 5000 print time print position 1 print position 0 newline time-step 1.0e-6 run 0 1.0 End gnuplot << End plot "data" with lines pause 60 quit End |
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