<div>Your electrons.dat seems OK, except maybe for the lack of blank spaces?</div>
<div>Try </div>
<div> </div>
<div>OW = 8 etc.</div>
<div> </div>
<div>Regards.</div>
<div> </div>
<div>Pedro.<br> </div>
<div><span class="gmail_quote">2007/9/4, Shanshan Qin <<a href="mailto:sansanqin00@mails.tsinghua.edu.cn">sansanqin00@mails.tsinghua.edu.cn</a>>:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div bgcolor="#ffffff">
<div><font size="2">Dear gmx-users,I tried to analyse the electron density of pure water in a short simulation, ( about 100 ps), I constructed the electrons.dat like this:</font></div>
<div><font size="2"></font> </div>
<div><font size="2">3</font></div>
<div><font size="2">OW=8</font></div>
<div><font size="2">HW1=1</font></div>
<div><font size="2">HW2=1</font></div>
<div><font size="2"></font> </div>
<div><font size="2">However,the system displayed"invalid line in datafile at line 1". The system contains only water,nothing else,and other function of g_density worked well in this system. I think it must be due to the
electrons.dat, is there someone here kindly tell me where I am wrong?</font></div>
<div><font size="2">Thanks in advance.</font></div></div><br>_______________________________________________<br>gmx-users mailing list <a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:gmx-users@gromacs.org">
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