Re: [AMBER] please help me out

From: Wei Zhang <zgjzweig.gmail.com>
Date: Sun, 10 May 2009 14:21:06 +0100

Hi,

    I can think of three possible solutions:

    1) try the command BondByDistance, usually it creates correct bonds.

    2) try to use mol2 format instead of PDB format.

    3) prepare the CONECT card manually.


     SIncerely,

     Wei



On May 10, 2009, at 2:56 AM, Nancy wrote:

> Dear Amber experts and users,
> My pdb file bundlecc66 is a carbon nanotubes bundle which
> contains 7 same carbon nanotubes .when i load it into xleap, only
> one tube has atoms connection, the other don't have atoms
> connection , what should i do ? Can anybody give me some
> advice ,thanks in advance.
>
> <bundlecc66.pdb>_______________________________________________
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Received on Wed May 20 2009 - 15:27:42 PDT
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