AMBER Archive (2003)

Subject: Re: AMBER: (no subject)

From: David A. Case (case_at_scripps.edu)
Date: Tue Aug 05 2003 - 14:32:56 CDT

On Tue, Aug 05, 2003, Narang Manpreet Kaur wrote:
>
> I want to add a a waterbox with with different x, y, and z dimensions.
> I tried the following
> solvatebox commar WATBOX216 30.17 31.27 49.96

When you want different buffers in different directions, the third argument
needs to be a LIST (see p. 24 of the Users' Manual). So you should write
something like this:

solvatebox commar WATBOX216 { 30.17 31.27 49.96 }

(You might also want to use a closeness parameter of about 0.8 or so.)

..good luck...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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