[gmx-users] missing atoms

ninoo mani ninoomani at yahoo.co.in
Tue Aug 1 08:21:48 CEST 2006


Dear gmx users
   
  I have a protein molecule with few missing residues,
  a Lys with CG, CD, CE, NZ missing atoms, and
  a Val with CG1, CG2 missing atoms.
  I noticed that pdb2gmx reads the pdb file and places the missing atoms.
  First I want to know whether gromacs places only missing atoms or it places the entire side chain? 
  Second, is gromacs' repaired molecule reliable for simulation or I should do homology modelling using other softwares to repair the molecule?
  Thanks,
  Ninoo

 				
---------------------------------
 Here’s a new way to find what you're looking for - Yahoo! Answers 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060801/7f46c19a/attachment.html>


More information about the gromacs.org_gmx-users mailing list