[gmx-users] genconf problem

ANINDITA GAYEN aninditagayen at yahoo.co.in
Tue Jun 10 13:02:05 CEST 2008



Dear all,
 I have download a POPG(lip 128+Na ion 128)
bilayer from "http://www.softsimu.org/downloads.shtml". I want to make
a bilayer containing 128 lip/leaflate i.e, with 256 lipids having suqre surface area (X=Y). With the following commands :
1)"genconf -f popg.pdb -nbox 2 2 1 -dist 0 0 0 -o popc256.pdb"
   bilayer becomes 4 times larger with 512  POPG molecules (X=Y).
2)"genconf -f popg.pdb -nbox 2 1 1 -dist 0 0 0 -o popc256.pdb"
   bilayer becomes 2 times larger with 256  POPG molecules but, X=2Y.

3)"genconf -f popg.pdb -nbox 1 2 1 -dist 0 0 0 -o popc256.pdb"

   bilayer becomes 2 times larger with 256  POPG molecules but, 2X=Y.

please give me any suggestion how I can make a (11*11,i.e 242 lipids )
or (12*12,i.e  288 lipids) bilayer from  (8*8,i.e  128
lipids)  POPG bilayer.

          thanks in advance. 

 



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