Hi I have a geometry in a textfile which looks like that:
N 2.823790 -0.041893 0.737832 C 3.563329 -1.141307 0.332899 O 4.781032 -1.165954 0.346660 You see the atom and then three spatial coordinates. I renamed it to file.pdb an give it into gromacs by pdb2gmx -f file.pdb but it did not work. How I have to change this input file? My first aim is to do an energy minimization. Greetins Lara
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