Hello,<div><br /></div><div>I am trying to follow the tutorial listed here: https://manual.cp2k.org/trunk/methods/qm_mm/builtin.html</div><div>but with a molecule I built in AMBER following this tutorial: https://ambermd.org/tutorials/basic/tutorial0/index.php</div><div>the molecule is alanine dipeptide.</div><div><br /></div><div>I try to run the CP2K em.inp input file to perform the geometry optimization, changing the input file as needed to match the alanine dipeptide molecule, and I encounter this error:</div><div><span style="overflow-wrap: break-word; white-space-collapse: preserve;"><font color="#000000">Expecting %FORMAT. Not found! Abort reading of AMBER topology file! </font></span><span style="overflow-wrap: break-word; white-space-collapse: preserve;"><font color="#000000">topology_amber.F:1327</font></span><br /></div><div><span style="overflow-wrap: break-word; white-space-collapse: preserve;"><font color="#000000"><br /></font></span></div><div><span style="overflow-wrap: break-word; white-space-collapse: preserve;"><font color="#000000">I have not been able to elucidate what is causing this error and why the calculation won't run. I've attached what I believe to be all the necessary files for the information needed to assist.</font></span></div><div><span style="overflow-wrap: break-word; white-space-collapse: preserve;"><font color="#000000"><br /></font></span></div><div><span style="overflow-wrap: break-word; white-space-collapse: preserve;"><font color="#000000">Thank you to anyone who can assist me with this issue.</font></span></div>

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