<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt;color:#000000;"><div>Dear All,<br><br>In an attempt to create CNT topology with g_x2top and amber99, I was getting this error: no or incorrect atomname2type.n2t file found. So I tried to create a atomname2type.n2t file for CNT in Amber99. My coordinate file is of this form: <br>UNNAMED<br> 400<br> 1TUB CA 1 0.392 0.000 0.000<br> <br>so I opened oplsaa's .n2t file, and replaced all the entries with these three lines:<br>CA C 0 12.011 3 C 0.142 C 0.142 C 0.142<br>CA CA
0 12.011 2 C 0.142 C 0.142<br>CA CB 0 12.011 1 C 0.142 <br><br>C, CA, CB are all listed in atomtypes.atp file in Amber as:<br>C 12.01000 ; sp2 C carbonyl group <br>CA 12.01000 ; sp2 C pure aromatic (benzene)<br>CB 12.01000 ; sp2 aromatic C, 5&6 membered ring junction<br><br><br>But when I run the g_x2top, I still get the same error. <br><br>Any help is much appreciated.<br><br>Thanks,<br>Majid<br></div>
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