Hey @al42and thanks for the fast reply :)
At this website: 3: Proteins - Part I: Basic and Martinize 2 there is a link in the beginning “The files required for this tutorial (including worked files) can be downloaded from [here.]”. I used that link to download the file and the given tutorial for the simulation.
Today i tried the same on another computer and there everything worked fine so it is most likely a software issue? I wanted to try the tutorial on my own computer, which should be possible i guess since it is a small system to simulate?
Thank you very much for help!
My gromacs version (quick and dirty installation):
gmx --version
:-) GROMACS - gmx, 2023.1 (-:
Executable: /usr/local/bin/gmx
Data prefix: /usr/local
Working dir: /home/qoraj/Documents/CG_simulations/tutorial_protein_part1 (1)/tutorial_2/martini3_worked/test
Command line:
gmx --version
GROMACS version: 2023.1
Precision: mixed
Memory model: 64 bit
MPI library: thread_mpi
OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 128)
GPU support: disabled
SIMD instructions: AVX2_256
CPU FFT library: fftw-3.3.8-sse2-avx-avx2-avx2_128
GPU FFT library: none
Multi-GPU FFT: none
RDTSCP usage: enabled
TNG support: enabled
Hwloc support: disabled
Tracing support: disabled
C compiler: /usr/bin/cc GNU 11.3.0
C compiler flags: -fexcess-precision=fast -funroll-all-loops -mavx2 -mfma -Wno-missing-field-initializers -O3 -DNDEBUG
C++ compiler: /usr/bin/c++ GNU 11.3.0
C++ compiler flags: -fexcess-precision=fast -funroll-all-loops -mavx2 -mfma -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp
BLAS library: Internal
LAPACK library: Internal
And i will upload my used input files and the .log file.
Thank you already!!
minimization-vac.log (13.2 KB)