[gmx-users] nitrogen itp file with virtual site

Hello GROMACS users, This is Ali, I'm new to Gromacs and doing MD simulation of nitrogen at super critical point.The structure I use is different from regular nitrogen (N-N). As you know N atom has a negative charge which means the nitrogen molecule will be negatively charged, therefore I need to u

[gmx-users] Regarding precision in gromacs

Hello, i have installed gromacs 2016.2, and in the command line if i type gmx --version i am getting as:- GROMACS version:2016.2 Precision: single Memory model: 64 bit MPI library:thread_mpi OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 32) GPU support:dis