AMBER Archive (2002)

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

From: M. L. Dodson (bdodson_at_scms.utmb.EDU)
Date: Wed Oct 16 2002 - 19:10:22 CDT


On 16 Oct, David A. Case wrote:
> 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
>

My 2 cents.
This should be straightforward using nab :-)
Bud Dodson

-- 
M. L. Dodson                                bdodson_at_scms.utmb.edu
409-772-2178                                FAX: 409-772-1790