Dear Mark,<br><br>I used to put ten molecules of hexanol in a box 5 5 1 with the instruction "genbox -ci hexanol.gro -nmol 10 -box 5 5 1 -o layer.gro -p hexanol.top". However, now I want to fill up the box 4 4 4 with hexanol molecules.<br>
If I change the number 10 in the instruction to 1000 or 10000, it will run well but I do not know if this box is full.<br>Please help me to change this instruction.<br><br>Thanks a lot.<br><br>Regards,<br><br>Cuong<br><br>
<div class="gmail_quote">2011/10/26 Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div class="im">On 26/10/2011 1:46 PM, cuong nguyen wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear,<br>
<br>
Thanks a lot for useful software. I am trying to generate a box (4 4 4) with full hexanol molecules inside. I have used the instruction "genbox -ci hexanol.GRO -box 4 4 4 -o layer.gro -p hexanol.top", however it has not been successful.<br>
</blockquote>
<br></div>
Unfortunately we can't help if we don't know what is in your -ci box (also, it's probably best not to use capitalized filename extensions), or why you think the procedure was not successful. Please consider the advice here <a href="http://www.gromacs.org/Support" target="_blank">http://www.gromacs.org/Support</a><u></u>.<br>
<br>
Mark<br><font color="#888888">
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</font></blockquote></div><br><br clear="all"><br>-- <br><div>Nguyen Van Cuong</div>
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