[gmx-users] (no subject)

[许 叶春]

Hi, all
  I am going to insert one helical into bilayer lipids. I meet the 
difficult to build a hole in bilayer lipids. My pull.ppa is described 
below:

verbose = no
runtype = umbrella
group_1 = POPCS (one lipid in the center of the bilayer lipids)
reference_group =  POPC(bilayer lipid)
reftype = dynamic
reflag = 1
direction = 1.0 1.0 1.0
reverse = from_reference
r = 1.0
rc = 1.5
update = 1
tolerance = 0.001
transstep = 0.2

  After 100ps simulation, I do not find the hole. How wrong about my 
pull.ppa? Once I change "runtype=umbrella" to "runtype=start", but it shows 
error which is the same  as the description of Erik Wensink( 
Fri, 22 Mar 2002 07:27:52). 

Best regards

yezi




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