I found the problem.  I had a mismatch between my pdb file and the prmtop file.  I resolved it and the job is running as expected.<div><br /></div><div>Thank you,</div><div>Jerry<br /><br /></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, February 20, 2024 at 4:10:33 PM UTC-5 jerryt...@gmail.com wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Dear Forum,<div>I am trying to run a QMMM MD job with Amber + CP2K, but I am getting the following error when CP2K reads the prmtop file:</div><div>FORCEFIELD| Missing Charge            (  N1)                                   <br> FORCEFIELD| Missing Charge            (  O2)                                   <br> FORCEFIELD| Missing Charge            (  O3)                                   <br> FORCEFIELD| Missing Charge            (  N4)                                   <br> FORCEFIELD| Missing Charge            (  O5)                                   <br> FORCEFIELD| Missing Charge            (   O)                                   <br> FORCEFIELD| Missing Charge            (  H1)                                   <br> FORCEFIELD| Missing Charge            (  H2)                                  </div><div><br></div><div>I have attached all relevant files.  Thank you for your help.</div><div><br></div><div>Kindest regards,<br>Jerry <br></div></blockquote></div>

<p></p>

-- <br />
You received this message because you are subscribed to the Google Groups "cp2k" group.<br />
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br />
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/6a45e106-8287-474b-a8f2-7cf12a0fe993n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/6a45e106-8287-474b-a8f2-7cf12a0fe993n%40googlegroups.com</a>.<br />