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<DIV>Dear,</DIV>
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<DIV> I am trying to do CG simulation,so I need a table potential as manual says, but it seem that it is too complicated for me to make a 7 columns table,I have see some suggestion in the user-mails,but I am still not understanding them clearly,what I have done as follows,I have transfered lJ-96 potential into table potential directly,but the table only two columns are zeroes,they are the first columns x,and the fourth columns g(x),that is the potential value of LJ-96 according to x, I want someone to help me to check my works directly, thanks in advance!</DIV>
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<DIV>[ defaults ] <BR>; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ<BR> 1 1 no 1.0 1.0<BR>[ atomtypes ]<BR>; type mass charge ptype c6 c12<BR> C 6 0 A 1.00 0.0000<BR></DIV>
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<DIV>part of table:</DIV>
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<DIV> 0.36 0 0 0.65757 0 0 0<BR> 0.362 0 0 0.53518 0 0 0<BR> 0.364 0 0 0.42386 0 0 0<BR> 0.366 0 0 0.32271 0 0 0<BR> 0.368 0 0 0.23088 0 0 0<BR> 0.37 0 0 0.14758 0 0 0<BR> 0.372 0 0 0.07213 0 0 0<BR> 0.374 0 0 0.00385 0 0 0<BR> 0.376 0 0 -0.05783 0 0 0<BR> 0.378 0 0 -0.11347 0 0 0<BR> 0.38 0 0 -0.16358 0 0 0</DIV>
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<DIV>Best </DIV>
<DIV> </DIV>
<DIV> Jianguo<BR></DIV><BR><BR></DIV><br><br><span title="neteasefooter"/><hr/>
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