<div dir="ltr">Hello CP2K Users, Here I am attaching my CP2K input file for the QMMM simulation of alanine in methanol where I am interested in treating the alanine and some methanol molecule in QM region and rest of the methanol as MM. I made this input by taking the help from the cp2k website for urea in water example. In urea water example only urea is treated QM and water as MM. My questions are as follows: (1) Is this is the correct input file to start simulations in terms of input parameters? (2) if I am using "The Adaptive Buffered Force" from https://arxiv.org/pdf/1409.5218.pdf , the simulation is very slow. (3) How to deal with the temperature of QM region and total system. Is both should be equal. (4) ECOUPL COULOMB or GEEP which one is preferable for this system. (5) How to deal with the periodicity of the QM region. Thanking you Regards, Vivek (http://astro.temple.edu/~tuf65156) Temple University. </div>