Hi, i need your help again! this time in the selection of analyzing tools and methods... I've found a water molecule near one of the ligand atoms. It's stabile enough and the distance is about 3.3 A. But I want to make some measurments, exactly angle degree identification. I want to calculate the frequence of forming of angle (about 90 degree) between oxygen of the water and the plane (formed by the atom of the ligand and several atoms around (it is a first CA atom and carboxyl group CA-C-O-OH of aminoacid)). But a perpendicular from OW is connected exactly to C atom of carboxyl group. In other case gromacs is trying to calculate an angle between OW and the whole, unlimited plane... Can I do such analyze? Ormay be you can give me some advices Thank you! -- **** *
Nemo me impune lacessit*
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