[gmx-users] g_sas and vdwradii.dat

Gromacs users, I have 3 easy questions regarding the use of g_sas 1) I am trying to understand exactly how gromacs computed the SAS. I looked at vdwradii.dat and it says ; Very approximate VanderWaals radii ; only used for drawing atoms as balls or for calculating atomic overlap. Does atomic

[gmx-users] g_sas and vdwradii.dat

Hi all, I recently completed several simulations of pure DPPC bilayers (128 lipids, 64 per leaflet, from Tieleman's site), and am processing the output. Of interest to me is the SASA, so I'm using g_sas. I ran the command: g_sas -f md_0_100.xtc -s md.tpr -n sas.ndx (selecting solvent for the