Dear gromacs users, I am trying to calculate and generate the xvg output of area per lipid for drug molecules inserted into the DMPC 128 lipid bilayer. I have run the simulation for 200 ns. First 100 ns were discarded as equilibration. The next 100 ns I will use for determining area per lipid. I have short tarjectory file .trr and .xtc (20 ns of each). Could someone pls tell me how can i generate a xvg plot for area per lipid as a function of time evolution with using these 20 ns short trajectory over the last 100 ns in one xvg plot . Which gromacs utility I have to use? And also how to calculate the area per lipid.
Thanks in advance /nittopuran
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