[gmx-users] 1-4 Scaling Problem?

[Chris Neale]

I previously stated that I had simulated POPC with LRLJ cutoff at 2.0nm and found the area per lipid to decrease. 
This was incorrect. In fact, I should have said that I simulated DPPC using a 1.0nm cutoff for LRLJ and a 2.0nm cutoff 
for coulombic, without PME, according to Tieleman and Berendsen JCP 105 1996, p. 4871.

Apologies for my error.

Chris.

-- relevant text from the original --

Thank you for providing the information that experimental is 59.6A. What 
did Tieleman report? I have run his POPC with the .mdp options stated in 
the associated paper (LRLJ at 2.0nm) and found the area per lipid to 
shrink immediately. I concluded from that test that, for that one paper 
at least, either the methods section was not entirely correct, or the 
ambiguous way in which the type of pressure coupling was explained led 
me to do pressure coupling differently than they did (I used semiisotropic).