<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:12pt"><div><span>So I can not change the type of unit cell in regenerating a job done before, right?</span></div><div><br><span></span></div><div><span>Cheers, <br></span></div><div><span>Shima<br></span></div><div><br></div> <div style="font-family: arial, helvetica, sans-serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font size="2" face="Arial"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Mark Abraham <Mark.Abraham@anu.edu.au><br> <b><span style="font-weight: bold;">To:</span></b> Discussion list for GROMACS users <gmx-users@gromacs.org> <br> <b><span style="font-weight: bold;">Sent:</span></b> Saturday, April 21, 2012 7:23 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [gmx-users] Type of unit cell<br> </font>
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On 22/04/2012 12:00 AM, Shima Arasteh wrote:
<blockquote type="cite">
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255);font-family:arial, helvetica, sans-serif;font-size:12pt;">
<div>Dear Gomacs friends,</div>
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<div>I'd like to know if it makes different in the last outcomes
of a simulation when I change the box? </div>
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Yes, it changes.<br>
<br>
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255);font-family:arial, helvetica, sans-serif;font-size:12pt;">
<div>For example I use <font face="Arial"><font size="3">dodecahedron
instead of cubic one. I just know that I need to add less
numbers of water molecules.</font></font></div>
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</blockquote>
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True. It's your call based on what you want to simulate.<br>
<br>
Mark<br>
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