Unwrap molecules

From: Ekta Khurana (ekta_at_VITAE.CMM.UPENN.EDU)
Date: Sun Mar 21 2004 - 21:55:06 CST

Hi,
   I have an equilibrated pdb patch for a DMPC bilayer. Now I want to add
water and run it using NAMD.But in the pdb patch the molecules are wrapped
and when I use psfgen and topology file to generate the psf, it connects
the atoms across the periodic cell giving bonds that exist across the
periodic cell. Can anyone suggest how I can unwrap the coordinates in the
pdb that I have or some other solution.
Thanks
Ekta
 

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