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<DIV>Dear Paul.</DIV>
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<DIV>'Randomly produced' meas the coordinates of atoms in x, y, z direction are randomly distributed within a cubic box. For example, I generated 100 or 10000 atoms randomly distributed in a box with a length of 2 nm.</DIV>
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<DIV>My intention is to use L-J particles for simulating a structure with a large number of atoms or grains, which randomly distributed in a box. </DIV>
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<DIV>But I met problem and my. gro file does not work. I Checked David's files, mdrun is OK. I don't know what is the problem in my .gro file?</DIV>
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<DIV>Many thanks for your time.</DIV>
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<DIV>Albert </DIV>
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<DIV><BR><BR><B><I>Paul van Maaren <maaren@home.nl></I></B> wrote:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">On Mon, 3 Nov 2003, Albert Sun wrote:<BR><BR>> This .gro file is obtained after EM (energy minimization) from a randomly produced .gro file. It did not work when mdrun.<BR><BR>What do you mean with randomly produced? Maybe you should start from the <BR>file David send you. If you want 100 atoms, just cut out 25 and run mdrun. <BR>That should work. Works for me at least...<BR><BR>-- <BR>Groeten,<BR><BR>Paul<BR></BLOCKQUOTE></DIV></DIV><p><hr SIZE=1>
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