<div>Dear Sumit Agrawal, </div><div>You can create some model in Avogadro. There you can pre-optimize it with force fields, and save as .xyz file. In CP2K, then you can read coordinates from .xyz file. Please, read manual for this (<a href="https://link.getmailspring.com/link/FC05854F-A2E3-45BD-9677-A12F225F42A8@getmailspring.com/0?redirect=https%3A%2F%2Fmanual.cp2k.org%2Fcp2k-7_1-branch%2FCP2K_INPUT%2FFORCE_EVAL%2FSUBSYS%2FTOPOLOGY.html&recipient=Y3Aya0Bnb29nbGVncm91cHMuY29t" title="https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY.html">https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY.html</a>).</div><div>Best regards,</div><div>Vasyl</div><div class="gmail_quote_attribution">On Oct 16 2020, at 11:27 pm, sumit agrawal <sumita...@gmail.com> wrote:</div><blockquote><div><div>Hii,</div><div><br></div><div>I have recently installed cp2k in windows. I just did some exercise which is available on cp2k website. Now I want to do some bulk phase vibrational analysis. I want to make a coordinate file in which 100 water molecules and one methanol molecule is present. This methanol molecule is present in between water molecules. So how to make a coordinate file for this system.</div><div><br></div><div>Can I use gauss view to make the coordinate file?</div></div><br><div>--</div><div>You received this message because you are subscribed to the Google Groups "cp2k" group.</div><div>To unsubscribe from this group and stop receiving emails from it, send an email to <a href="https://link.getmailspring.com/link/FC05854F-A2E3-45BD-9677-A12F225F42A8@getmailspring.com/1?redirect=mailto%3Acp2k%2Bunsubscribe%40googlegroups.com&recipient=Y3Aya0Bnb29nbGVncm91cHMuY29t" title="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a>.</div><div>To view this discussion on the web visit <a href="https://link.getmailspring.com/link/FC05854F-A2E3-45BD-9677-A12F225F42A8@getmailspring.com/2?redirect=https%3A%2F%2Fgroups.google.com%2Fd%2Fmsgid%2Fcp2k%2FCALSDoYad_FGm4Qh5SRvZcMun3fe%253D5q1xpxeW3T5SoMcAoTH52A%2540mail.gmail.com%3Futm_medium%3Demail%26utm_source%3Dfooter&recipient=Y3Aya0Bnb29nbGVncm91cHMuY29t" title="https://groups.google.com/d/msgid/cp2k/CALSDoYad_FGm4Qh5SRvZcMun3fe%3D5q1xpxeW3T5SoMcAoTH52A%40mail.gmail.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/CALSDoYad_FGm4Qh5SRvZcMun3fe%3D5q1xpxeW3T5SoMcAoTH52A%40mail.gmail.com</a>.</div></blockquote><img class="mailspring-open" alt="Sent from Mailspring" width="0" height="0" style="border:0; width:0; height:0;" src="https://link.getmailspring.com/open/FC05854F-A2E3-45BD-9677-A12F225F42A8@getmailspring.com?me=0f52c36e&recipient=Y3Aya0Bnb29nbGVncm91cHMuY29t">