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Hello,<br>Could Berk or someone else answer my question regarding the new "nstlist=-1" option in gmx4? In my understanding, the algorithm for this option is the one used in DLPOLY/LAMMPS. However, When I was trying two gromacs runs with "nstlist=-1" and "nstlist=1", I found the speeds were basically the same. Isn't this automatic nblist checking supposed to be faster than updating the nblist every step? I also did similar tests on LAMMPS for the same system and found the speed for automatical updating was several times faster. As a result, although Gromacs is about 60% faster if we choose nstlist=1, it's much slower than LAMMPS if we choose the automatic nblist updating. <br>Thanks in advance for any ideas about it.<br>Lanyuan Lu<br><br><br /><hr />不加好友也能聊？试试MSN在线通！ <a href='http://im.live.cn/imme/' target='_new'>现在就下载！</a></body>
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