<font color="#000099"><font face="verdana,sans-serif">While, is it needed to list all the possible interacting (two) atoms in the </font></font><span class="Apple-style-span" style="color: rgb(0, 0, 153); font-family: verdana, sans-serif; ">energygrp_table option? I have more than 3000 possible two-atom pairs, corresponding to more than 3000 table_*.xvg files.</span><div>
<font class="Apple-style-span" color="#000099" face="verdana, sans-serif"><br></font></div><div><font class="Apple-style-span" color="#000099" face="verdana, sans-serif"><br></font><div class="gmail_quote">On Wed, Nov 30, 2011 at 12:29 AM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div bgcolor="#FFFFFF" text="#000000"><div class="im">
On 30/11/2011 5:25 PM, Liu, Liang wrote:
<blockquote type="cite"><font color="#000099"><font face="verdana,sans-serif">The
error shows as "An input file contains a line longer than 4095
characters, while the buffer passed to fgets2 has size 4095."<br>
</font></font></blockquote>
<br></div>
No text table file needs a line this long. We still don't have
information from you, but I expect you have a malformed file.<span class="HOEnZb"><font color="#888888"><br>
<br>
Mark</font></span><div class="im"><br>
<br>
<blockquote type="cite"><br>
<div class="gmail_quote">
On Wed, Nov 30, 2011 at 12:22 AM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au" target="_blank">Mark.Abraham@anu.edu.au</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000">
<div> On 30/11/2011 5:09 PM, Liu, Liang wrote:
<blockquote type="cite"><font color="#000099"><font face="verdana,sans-serif">Dear all,</font></font>
<div><font color="#000099"><font face="verdana,sans-serif"><br>
</font></font></div>
<div><font color="#000099"><font face="verdana,sans-serif">I am trying to use
tabulated potentials in my simulation. However,
there is a limit on energygrp_table and the grompp
reports error.</font></font></div>
</blockquote>
<br>
</div>
What error?
<div><br>
<br>
<blockquote type="cite">
<div><font color="#000099"><font face="verdana,sans-serif">The interaction happens
between any two of atoms, and their might be more
than 3000 possible couples.</font></font></div>
<div><font color="#000099"><font face="verdana,sans-serif">What should I do to
remove the limit? Thanks.<br clear="all">
</font></font></div>
</blockquote>
<br>
</div>
We don't know what limit you are observing.<span><font color="#888888"><br>
<br>
Mark<br>
</font></span></div>
<br>
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</blockquote>
</div>
<br>
<br clear="all">
<div><br>
</div>
-- <br>
Best,<br>
Liang Liu<br>
<br>
<fieldset></fieldset>
<br>
</blockquote>
<br>
</div></div>
<br>--<br>
gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>
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Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/Support/Mailing_Lists</a><br></blockquote></div><br><br clear="all"><div><br></div>-- <br>Best,<br>Liang Liu<br>
</div>