Re: AMBER: tleap under amber6

From: David A. Case <case.scripps.edu>
Date: Mon, 18 Aug 2003 11:48:19 -0700

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 

-- 
==================================================================
David A. Case                     |  e-mail:      case.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:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Aug 18 2003 - 19:53:00 PDT
Custom Search