AMBER Archive (2009)

Subject: Re: [AMBER] please help me out

From: Wei Zhang (zgjzweig_at_gmail.com)
Date: Sun May 10 2009 - 08:21:06 CDT


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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