Hi,Amber users
This is one top file
%FLAG LENNARD_JONES_ACOEF
%FORMAT(5E16.8)
1.04308023E+06 6.78771368E+04 3.25969625E+03 9.95480466E+05 6.20665997E+04
9.44293233E+05 9.24822270E+05 6.01816484E+04 8.82619071E+05 8.19971662E+05
8.59947003E+04 4.33325458E+03 7.91627154E+04 7.62451550E+04 5.71629601E+03
6.47841731E+05 3.69471530E+04 6.06829342E+05 5.74393458E+05 4.77908183E+04
3.79876399E+05 2.56678134E+03 5.94667300E+01 2.12601181E+03 2.27577561E+03
8.90987508E+01 1.02595236E+03 1.39982777E-01 4.68919175E+05 2.81053481E+04
4.42327516E+05 4.15756030E+05 3.60700839E+04 2.80970524E+05 8.77867742E+02
2.06132451E+05 1.83982239E+06 1.22102013E+05 1.76079018E+06 1.63123475E+06
1.54217681E+05 1.15256113E+06 4.83020816E+03 8.31554535E+05 3.24095688E+06
7.18621074E+04 3.50301067E+03 6.58473870E+04 6.37148278E+04 4.64559155E+03
3.93690817E+04 6.63368273E+01 2.98748723E+04 1.29147101E+05 3.76169105E+03
6.28541240E+05 3.63097246E+04 5.89818288E+05 5.57281136E+05 4.68711055E+04
3.70622491E+05 1.03954408E+03 2.73550530E+05 1.11729277E+06 3.86654993E+04
3.61397723E+05 9.71708117E+04 4.98586848E+03 8.96776989E+04 8.61541883E+04
6.55825601E+03 5.44261042E+04 1.07193646E+02 4.09569055E+04 1.74057868E+05
5.34045360E+03 5.33379252E+04 7.51607703E+03 2.27401052E+04 8.79040886E+02
2.01791425E+04 2.01619733E+04 1.21014911E+03 1.12780457E+04 9.14716912E+00
8.88695669E+03 4.14717455E+04 9.55000044E+02 1.11851919E+04 1.41077189E+03
2.01823541E+02 7.91544157E+05 4.66922514E+04 7.44975864E+05 7.01803794E+05
6.00750218E+04 4.71003287E+05 1.40467023E+03 3.46452061E+05 1.40513595E+06
4.96707306E+04 4.58874091E+05 6.82786631E+04 1.45985502E+04 5.81803229E+05
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
2.09861767E+06 1.42791446E+05 2.01562190E+06 1.86068943E+06 1.79647996E+05
1.32911052E+06 5.97860700E+03 9.55014872E+05 3.69078434E+06 1.50848032E+05
1.28707992E+06 2.02461849E+05 4.93469320E+04 1.61587928E+06 0.00000000E+00
4.19430400E+06 5.98885646E+04 2.82099197E+03 5.46147253E+04 5.30987710E+04
3.76169105E+03 3.23283631E+04 4.90239937E+01 2.46694355E+04 1.07864592E+05
3.03448006E+03 3.17965283E+04 4.33325458E+03 7.50063100E+02 4.09427581E+04
0.00000000E+00 1.26338489E+05 2.43828624E+03
%FLAG LENNARD_JONES_BCOEF
%FORMAT(5E16.8)
6.75612247E+02 1.06076943E+02 1.43076527E+01 7.36907417E+02 1.13252061E+02
8.01323529E+02 5.99015525E+02 9.40505980E+01 6.53361429E+02 5.31102864E+02
1.18043746E+02 1.63092814E+01 1.26451907E+02 1.04660679E+02 1.85196588E+01
6.26720080E+02 9.21192136E+01 6.77220874E+02 5.55666448E+02 1.03580945E+02
5.64885984E+02 2.06278363E+01 1.93248820E+00 2.09604198E+01 1.82891803E+01
2.33864085E+00 1.53505284E+01 9.37598976E-02 3.91440521E+02 5.89836782E+01
4.24469669E+02 3.47061425E+02 6.60630842E+01 3.56654459E+02 1.04244203E+01
2.24268406E+02 1.11939599E+03 1.77491593E+02 1.22266505E+03 9.92485818E+02
1.97211104E+02 1.04286543E+03 3.53019992E+01 6.50308291E+02 1.85348706E+03
1.07908863E+02 1.46638650E+01 1.15327881E+02 9.56748258E+01 1.66953734E+01
9.40124296E+01 2.01792524E+00 6.01226754E+01 1.80470661E+02 1.50233639E+01
5.85549272E+02 8.66220817E+01 6.33305958E+02 5.19163331E+02 9.73010751E+01
5.29252520E+02 1.46567808E+01 3.33805482E+02 9.73951183E+02 8.83744760E+01
4.95732238E+02 1.26919150E+02 1.76949863E+01 1.36131731E+02 1.12529845E+02
2.00642027E+01 1.11805549E+02 2.59456373E+00 7.12034334E+01 2.11915736E+02
1.81057616E+01 1.04986921E+02 2.17257828E+01 6.13981767E+01 7.42992380E+00
6.45756063E+01 5.44372326E+01 8.61880722E+00 5.08951803E+01 7.57919667E-01
3.31675887E+01 1.03440958E+02 7.65648470E+00 4.80771660E+01 9.41257003E+00
3.56012899E+00 6.93079947E+02 1.03606917E+02 7.50714425E+02 6.14502845E+02
1.16187983E+02 6.29300710E+02 1.79702257E+01 3.96228274E+02 1.15202544E+03
1.05648788E+02 5.89183300E+02 1.25287818E+02 5.79323581E+01 6.99746810E+02
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
1.17824605E+03 1.89165096E+02 1.28923404E+03 1.04466382E+03 2.09772716E+02
1.10369829E+03 3.87070358E+01 6.86835167E+02 1.94933195E+03 1.92224012E+02
1.03022002E+03 2.25248294E+02 1.11203892E+02 1.21753341E+03 0.00000000E+00
2.04800000E+03 9.85097219E+01 1.31591746E+01 1.05031585E+02 8.73413012E+01
1.50233639E+01 8.51921330E+01 1.73473071E+00 5.46342361E+01 1.64931547E+02
1.34932874E+01 8.01410250E+01 1.63092814E+01 6.78541827E+00 9.59185913E+01
0.00000000E+00 1.75916126E+02 1.20953369E+01
Why are there LENNARD_JONES_COEF A,B zero?
Thanks in advance!
Xiao He
hx.itcc.nju.edu.cn
2004-04-21
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Received on Wed Apr 21 2004 - 09:53:19 PDT
