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Hi. I am new in Gromacs. How can I do a simple simulation with Gromacs on google colab? My initial goal is simply to be able to visualize a molecule of water or water or whatever is simplest (I am completely new). I tried this:
In google colab:
!apt-get install -y gromacs
!wget https://files.rcsb.org/download/1TIT.pdb -O water.pdb
!gmx pdb2gmx -f water.pdb -o water_processed.gro -water spc
!gmx editconf -f water_processed.gro -o newbox.gro -c -d 1.0 -bt cubic
!gmx solvate -cp newbox.gro -cs spc216.gro -o solv.gro -p topol.top
but it is not work (see image)
