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<DIV><FONT size=2>Hello everyone!</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>I use gromacs3.3/2.1 to simulate a DNA molecule. I want to use
a box with a xy-hexagon to reduce the calculate time spenting.as
follows:</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>editconf -f 1.gro -o 2.gro -bt dodecahedron -box 2.5
2.5 10.5 -angles 60 60 60 </FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>But the result is:</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>the program say:</FONT></DIV>
<DIV> <FONT size=2>Volume: 22.8935 nm^3, corresponds to roughly 10300
electrons </FONT><FONT size=2>No velocities found</FONT></DIV>
<DIV><FONT size=2> system size : 2.139
2.286 4.242 (nm)<BR> diameter
:
4.391
(nm)<BR> center :
0.000 0.000 -0.000 (nm)<BR> box vectors :
2.403 4.144 2.299 (nm)<BR> box angles
: 90.00 90.00 90.00 (degrees)<BR> box
volume :
22.89
(nm^3)<BR> shift
: 1.875 1.875 0.884 (nm)</FONT></DIV>
<DIV><FONT size=2> new center :
1.875 1.875 0.884 (nm)<BR> new box vectors : 2.500
2.500 2.500 (nm)<BR> new box angles : 60.00
60.00 90.00 (degrees)<BR> new box volume :
11.05
(nm^3)</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>It is obvious wrong!</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>what can I do !!</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Thanks a lot</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
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