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On 30/11/2011 5:33 PM, Liu, Liang wrote:
<blockquote
cite="mid:CABxJRoKhaxkiZttTR0Q0VerHxA=4Qj_dgQvDgc_b0x3Xzf7fdA@mail.gmail.com"
type="cite"><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></blockquote>
<br>
Each atomtype probably doesn't need its own energy group. I'm busy
and am going to stop making guesses based on incomplete descriptions
of what you are trying to do and how you are doing it. :-)<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CABxJRoKhaxkiZttTR0Q0VerHxA=4Qj_dgQvDgc_b0x3Xzf7fdA@mail.gmail.com"
type="cite">
<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 moz-do-not-send="true"
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
moz-do-not-send="true"
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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-- <br>
Best,<br>
Liang Liu<br>
<br>
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-- <br>
Best,<br>
Liang Liu<br>
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