Hello folks,

I want to apply either negative lateral pressure (which is not parameterized in Desmond I got from some source) or then surface tension (which the previous literature has applied but the platform is different like NAMD, GROMACS etc.) to POPC in Desmond MD package of Schrodinger tools with an attempt to open the closed conformation of the inserted transmembrane protein (literature already adopted this mechanism/methodology). Once I tried the higher surface tension (120 mN/m) for 10 ns, the upper leaflet region of protein opened to the larger extent but the lower leaflet region didn't, although the ionic lock of this protein is formed by the residues interfacing the lower leaflet of the membrane. Could some kindly let me know how may I solve this problem/issue? Your cooperation will highly be appreciated.

TIA