<P>
Hi all, <BR>
I have downloaded POPC bilayer from peter teileman,s website and simulated for 5ns under anisotropic pressure coupling. When I drew a potential energy plot its shown that system is stabilised, so I have stopped the simulation at 5ns.<BR>
After that I have mentioned g_sas command for calculating surface area of lipid in this way and got .xvg file like below mentioned <BR>
<BR>
command : g_sas -f 5ns_popc.xtc -s min_popc.tpr -pbc -o area_popc.xvg<BR>
<BR>
.xvg File:<BR>
@ title "Solvent Accessible Surface"<BR>
@ xaxis label "Time (ps)"<BR>
@ yaxis label "Area (nm\S2\N)"<BR>
@TYPE xy<BR>
@ view 0.15, 0.15, 0.75, 0.85<BR>
@ legend on<BR>
@ legend box on<BR>
@ legend loctype view<BR>
@ legend 0.78, 0.8<BR>
@ legend length 2<BR>
@ s0 legend "Hydrophobic"<BR>
@ s1 legend "Hydrophilic"<BR>
@ s2 legend "Total"<BR>
@ s3 legend "D Gsolv"<BR>
0 152.383 228.165 380.548 0<BR>
0.2 149.279 230.277 379.555 0<BR>
0.4 153.175 229.306 382.481 0<BR>
0.6 149.312 229.188 378.499 0<BR>
0.8 149.708 228.811 378.518 0<BR>
1 149.972 229.69 379.662 0<BR>
1.2 155.587 229.615 385.202 0<BR>
1.4 151.953 227.696 379.649 0<BR>
1.6 149.113 229.903 379.016 0<BR>
1.8 151.062 227.394 378.456 0<BR>
2 149.278 226.934 376.213 0<BR>
2.2 151.095 225.68 376.774 0<BR>
2.4 149.873 229.576 379.449 0<BR>
2.6 148.387 230.391 378.778 0<BR>
2.8 147.627 227.792 375.419 0<BR>
3 148.156 229.589 377.745 0<BR>
3.2 145.051 229.568 374.619 0<BR>
3.4 147.231 229.814 377.044 0<BR>
3.6 145.348 229.392 374.741 0<BR>
3.8 148.717 229.43 378.146 0<BR>
4 153.307 230.834 384.142 0<BR>
4.2 153.604 230.6 384.204 0<BR>
4.4 154.397 229.345 383.742 0<BR>
4.6 155.718 230.864 386.582 0<BR>
4.8 155.685 231.226 386.911 0<BR>
5 152.911 231.332 384.243 0<BR>
5.2 153.935 229.453 383.388 0<BR>
5.4 154.43 231.396 385.826 0<BR>
. <BR>
.<BR>
.<BR>
.<BR>
.<BR>
till 5000ps.<BR>
<BR>
I have searched in gmx-archives about SAS of lipid, I found that lipid SAS should be 0.64 nm^2/sec but I got values range from 150 to 170nm2/sec <BR>
<BR>
Could you please tell where I have done mistake?<BR>
Thanks in advance.
</P>
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