[gmx-users] lipidposre.itp file of popc

chris.neale at utoronto.ca chris.neale at utoronto.ca
Mon Sep 22 08:20:32 CEST 2008

Yes, assuming that you include this file right after you define the  
lipid, and assuming that you meant to say CA1(51), and assuming that  
your lipid .itp has only a single molecule. You could test this  
yourself by running a short segment with and without the restraint and  
then taking a look at the trajectory with vmd, or perhaps doing an  
absolute RMSD.


--- original message ---
Hi gmx-archives,
I want do *PR for popc with restrain specifically on P(8),C(50),CA1(50) of
all popc molecules, I wrote lipidposre.itp file like this

[ position_restraints ]
; atom  type   fx     fy     fz
      8     1     500   500   500
     50    1     500   500   500
     51    1     500   500   500

If I mention like this will it restrain above included atoms of all popc?
Any suggestions would be appreciated
Thanks in advance.

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