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Dear GMXers,<BR>
I have a bit puzzle about the use of nexcl. In order to calculate the intermolecular g_rdf, the tpr file obtained from a top file is provided with the option -s. So the nexcl in the top file would effect the result of g_rdf. Suppose the nexcl is 3, whether are the two atoms seperated by 3 bonds as a pair included into the calculation of the routin g_rdf? Please ensure me the truth. Thanks a lot for any reply to this post.<BR>
Sincerely,<BR>
Chaofu Wu, Dr <BR> <br /><hr />Messenger保护盾2.0，更安全可靠的Messenger聊天！ <a href='http://im.live.cn/safe/' target='_new'>现在就下载！</a></body>
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