but i RUN 30PS and take tha last 10PS to
Analysis . <br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2021年4月22日星期四 UTC+8 下午10:42:54<Matt W> 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;">That's what I'd expect to see from a short simulation. Try running a classical version in your favourite software. You'll need 10s of ps minimum to get sensible statistics on the water density.<br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Thursday, April 22, 2021 at 2:25:12 PM UTC+1 egbertchang 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 All<div><br></div><div>I am trying to Run the simultion of graphene and confined water with CP2K7.1, however I found the bulk water density is very unstable? Can anyone look at this input file and tell me the reason? <img alt="Graph2.jpg" width="534px" height="373px" src="https://groups.google.com/group/cp2k/attach/1273164da94f0/Graph2.jpg?part=0.2&view=1"></div></blockquote></div></blockquote></div>