[gmx-users] g_sas of ligands

2011-09-08 Thread Steven Neumann
Dear Gromacs Users, I am calculating SAS using g_sas of ligands in my system: protein, 30 ligands in water. The hydrophobic SAS of ligands decrease and reach stable value. Hydrophilic remains stable over the simulation time. I am wondering whether it (the decrease o hydrophobic) is because of bin

[gmx-users] g_sas of ligands

2011-09-09 Thread Steven Neumann
Dear Gromacs Users, I am calculating SAS using g_sas of ligands in my system: protein, 30 ligands in water. The hydrophobic SAS of ligands decrease and reach stable value. Hydrophilic remains stable over the simulation time. I am wondering whether it (the decrease o hydrophobic) is because of bin