[AMBER] Placing molecules randomly in a simulation box

From: Massimiliano Porrini <mozz76.gmail.com>
Date: Sat, 12 May 2012 19:09:25 +0100

Dear all,

I need to randomly place ca. 200 molecules of
the lipid POPE in my simulation box, and then
create topology and coordinates files of the
resulting system:
protein + counter ions + POPE + water

Is there any t/xleap procedure able to randomly place
POPE molecules in the box (removing the potential clashing
water)?

Or I need to use another program?
If so, can anyone suggest me which is the best solution?

Thanks a lot in advance.

Best,


Dr Massimiliano Porrini
Institute for Condensed Matter and Complex Systems
School of Physics & Astronomy
The University of Edinburgh
James Clerk Maxwell Building
The King's Buildings
Mayfield Road
Edinburgh EH9 3JZ

Tel +44-(0)131-650-5229

E-mails : M.Porrini.ed.ac.uk
            mozz76.gmail.com
            maxp.iesl.forth.gr

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Received on Sat May 12 2012 - 11:30:04 PDT
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