Hi Josip,<div><br><div>Thank you for your advice.</div><div> </div><div>Fen'e<br><br></div></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2021年3月19日星期五 UTC+8 下午5:17:12&...@gmail.com> 写道：<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div dir="ltr">In the time, few years ago, when I was trying to do this. There was no other option than to do it manually.<br><br><div>Josip</div></div><br><div class="gmail_quote"></div><div class="gmail_quote"><div dir="ltr" class="gmail_attr">pet, 19. ožu 2021. u 10:12 汤羽 <<a href data-email-masked rel="nofollow">tang...@gmail.com</a>> napisao je:<br></div></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Maybe you can use Multiwfn to creat an input file for cp2k.<br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2021年3月19日星期五 UTC+8 下午3:20:50<<a href data-email-masked rel="nofollow">11...@qq.com</a>> 写道：<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear cp2k users,<div><br><div>I am a new user of cp2k. 

I would like to use cp2k to calculate an example of gromacs. Now I have the *.gro and *.top files of gromacs.

Can I use CP2K to read GMX's *.gro and *.top files directly? If possible, can someone tell me how to use CP2K to read the files directly?<br></div><div><br></div><div><p>Thanks in advance, </p><p>Fen‘e Gao </p></div></div></blockquote></div>

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