Re: How to specify the counterion positions using xleap?

From: David A. Case <>
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 would need to write your
own script for this (creating, say, a pdb file with counterions, then reading
that into LEaP.)


David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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Received on Wed Oct 16 2002 - 08:09:21 PDT
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