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Hi,<br><br>I don't think that is a good idea.<br>I put the following advise in grompp<br> "Since atoms only see each other when the centers of geometry of the charge groups they belong to are within the cut-off distance, too large charge groups can lead to serious cut-off artifacts.\n"<br> "For efficiency and accuracy, charge group should consist of a few atoms.\n"<br> "For all-atom force fields use: CH3, CH2, CH, NH2, NH, OH, CO2, CO, etc.",'<br><br>We should also put this somewhere in the manual.<br><br>Berk<br><br><hr id="stopSpelling">From: xiaowu759@hotmail.com<br>To: gmx-users@gromacs.org<br>Date: Thu, 25 Jun 2009 15:28:08 +0800<br>Subject: [gmx-users] Can N(CH2)3 be set a charge group?<br><br>
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Dear gmx users,<br>
Can N(CH2)3 be set a charge group? Is it too large to set? Any reply would be thanked very much.<br>
<br>
Sincerely<br>
Chaofu Wu<br><br><hr>把MSN装进手机，更多聊天乐趣等你挖掘！ <a href="http://mobile.msn.com.cn/">立刻下载！</a><br /><hr />See all the ways you can stay connected <a href='http://www.microsoft.com/windows/windowslive/default.aspx' target='_new'>to friends and family</a></body>
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