AMBER Archive (2006)

Subject: Re: AMBER: prepin file nan

From: linfu (linfu3200_at_mail.sioc.ac.cn)
Date: Tue Nov 28 2006 - 03:00:30 CST


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 艇壓栖佚嶄亟祇=======

>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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= = = = = = = = = = = = = = = = = = = =
                        

        崑

 
                                 
        linfu
        linfu3200_at_mail.sioc.ac.cn
          2006-11-28

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