AMBER Archive (2003)

Subject: Re: AMBER: tleap under amber6

From: David A. Case (case_at_scripps.edu)
Date: Mon Aug 18 2003 - 13:48:19 CDT

On Mon, Aug 18, 2003, Qiang Lu wrote:
>
> I have one problems when I use tleap under AMBER6.
>
> bond: Argument #1 is type String must be of type: [atom]
> usage: bond <atom1> <atom2> [order]
>

There should be no difference between amber 6 and amber 7 in this regard.
Use the "desc" command to see what names LEaP has given to the atoms and
residues in your system. For your example, if you type:

     desc x.2.ZN

it will tell you whether taht is a known atom or not.

Or, just use version 7 if it does what you want.

..dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
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