Thanks,<br><br>I tried to add -maxsol 846 to the command and got the box with 846 water molecules. However, when I use VMD to visualize the box, these molecules concentrate on 1/3 the box space. I do need the molecules to spread out whole box.<br>
<br>Cheers,<br>Cuong <br><br><div class="gmail_quote">2012/5/1 Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class="HOEnZb"><div class="h5"><br>
<br>
On 4/30/12 10:02 PM, cuong nguyen wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Gromacs Users,<br>
<br>
I used the command "genbox -cs spc216.gro -o box1.g96 -p topol.top -box 3 3 10"<br>
to create box of 3010 water molecules. However, now I need to create a same size<br>
box with only 846 water molecules. Please help me to do this.<br>
<br>
</blockquote>
<br></div></div>
Use the -maxsol option when invoking genbox.<br>
<br>
-Justin<br>
<br>
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==============================<u></u>==========<br>
<br>
Justin A. Lemkul<br>
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Department of Biochemistry<br>
Virginia Tech<br>
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<br>
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