Re: How to specify the counterion positions using xleap?

From: David A. Case <case_at_scripps.edu>
Date: Wed 16 Oct 2002 08:09:21 -0700

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


-- 
==================================================================
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:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================
Received on Wed Oct 16 2002 - 08:09:21 PDT
Custom Search