[gmx-users] Installation: problem with Mkl library

Hi I'm desperately trying to install gromacs on Win7. I'm not very experienced. I proceeded to install with CMake but at some point I keep giving this error: / CMake Error at CMakeLists.txt:969 (message): Linking with MKL was requested, but was not successful. The include path to mkl.h in MKL_

[gmx-users] Protein - Ligand simulation

Hi, I'm not a Biologist, I'm designer interested to molecular modelling and 3D visualization of proteins and molcules. I use gromacs but I'm not an expert of this. I would create an animation of the interaction between D-Alanyl -D Alanine carboxypeptidase and penicillin. In general i would see how

Re: [gmx-users] Protein - Ligand simulation

Thank you for your reply. Yes, I'm not specialist and I'm introducing now in Molecular Simulation. I don't know Steered Molecular Dynamic, do you have tutorials or guide documentations for it? Could you explain why the tutorial suggested by Aldo is not indicated for me? Sorry for my lack of prepara