AMBER Archive (2002)

Subject: Re: How to specify the counterion positions using xleap?

From: David A. Case (case_at_scripps.edu)
Date: Wed Oct 16 2002 - 10:09:21 CDT

On Wed, Oct 16, 2002, A.Madhumalar wrote:

> How one can specify the counterion positions like adding at 6.0A from
> perpendicular bisector of phosphate group using xleap in amber7?Thanks for
> any suggestions.
>

As far as I know, there is no option to do this...you would need to write your
own script for this (creating, say, a pdb file with counterions, then reading
that into LEaP.)

..dac 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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