<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Hi</div><div><br></div><div>I have a geometry in a textfile which looks like that: <br></div><div><br></div><div>N 2.823790 -0.041893 0.737832<br>C 3.563329 -1.141307 0.332899<br>O 4.781032 -1.165954 0.346660<br></div><div><br></div><div>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? <br></div><div><br></div><div>My first aim is to do an energy minimization. <br></div><div><br></div><div>Greetins</div><div>Lara</div></div></body></html>