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Periodic Boundary Conditions
____________________________

                Length (A)                Angle (degrees)
                ----------                ---------------

                a 25.77090                alpha  90.00000
                b 25.77090                beta   90.00000
                c 64.90290                gamma  90.00000

Error: Energy expression: cannot find parameters for oop: C1(c3a)-C(c)-C5(c)-C6(c43)
Error: Energy expression: cannot find parameters for oop: C(c)-C5(c)-C4(c3a)-H5(h1)
    while executing
"energy"
    invoked from within
"if {![$ee exists Atom.Gradient]} {
    energy
  }"
    (procedure "vdWTailCorrection" line 55)
    invoked from within
"vdWTailCorrection 9.50"

Total time used by DISCOVER: 0.44 secs
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zh1987hs: ½ð±Ò+1, лл 2012-10-10 22:32:56
mirror27: ½ð±Ò+3, ¡ïÓаïÖú, ²»ÊǺÜÃ÷°×£¬¿É·ñÏêϸ˵һÏ 2012-10-11 20:25:56
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2Â¥: Originally posted by shengxiang at 2012-10-10 21:52:36
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