VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu May 03 2007 - 07:44:05 CDT

On Thu, 3 May 2007, SMAHANE CHALABI wrote:

smahane,

SC> hi all,
SC>
SC> How, using VMD, could I generate a water box containing only the absorbent
SC> heads of phospholipid?
SC> in other words i would like to have a water box which contains the absorbent
SC> heads and an air box which contains the hydrophobic tails.

how about solvating just solvating everything and then removing
the water molecules that you don't want with a selection?
you can created selections of the type:
'same residue as (resname WAT and z > 10.0)'
to select only a part of the water box...

SC> I need your help!

who does _not_ need help every once in a while. ;-)

salut,
  axel.

SC>
SC> Thanks,
SC> smahane
SC>
SC> _________________________________________________________________
SC> Découvrez le Blog heroic Fantaisy d'Eragon!
SC> http://eragon-heroic-fantasy.spaces.live.com/
SC> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.