hi Fenghui Fan
it seems that antechamber cannot recgonize the para. correctly.
S1, you can try newly updated version of antechamber.
S2, you can try to use mol2 file to generate the prepin.
hope it can help
Fu Lin
======= 2006-11-28 11:28:16 您在来信中写道：=======
>Dear all,
>
>How can we avoid nan in the prepin file?
>
>If there is really nan in the prepin file, what kinds
>of action should we take?
>
>If there is really nan in the prepin file, how does it
>influence the frcmod file?
>
>I am looking forward to getting your reply.
>
>Best regards.
>
>Fenghui Fan
>
>
>
>
>____________________________________________________________________________________
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致
礼！
linfu
linfu3200.mail.sioc.ac.cn
2006-11-28
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Received on Wed Nov 29 2006 - 06:07:40 PST
