<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 style="font-family: times new roman,new york,times,serif;">Dear All,<br><br>I am trying to simulate the interaction between DNA, and CNT. But when I try to create the toplogy file with command <br><br>g_x2top -f ssdna.gro -o ssdna.top -ff select, I get the following error: Fatal error: Could only find a forcefield type for 119 out of 287 atoms<br><pre><span style="font-family: times new roman,new york,times,serif;">I am using the oplsaa forcefield, and I suspect it is because atomname2type.n2t file doesn't contain all the possible bonds in it. Copy of my .n2t file is attached with the message. </span><br style="font-family: times new roman,new york,times,serif;"><span style="font-family: times new roman,new york,times,serif;">Could you please guide me how to add all these
possible bonds in my .n2t file?</span><br style="font-family: times new roman,new york,times,serif;"><br style="font-family: times new roman,new york,times,serif;"><span style="font-family: times new roman,new york,times,serif;">I also downloaded the ffoplsaanr, ffoplsaano, from user contributed gromacs forcefields, but these packages also don't have .n2t file.</span><br style="font-family: times new roman,new york,times,serif;"><br style="font-family: times new roman,new york,times,serif;"><span style="font-family: times new roman,new york,times,serif;">Thanks,</span><br style="font-family: times new roman,new york,times,serif;"><span style="font-family: times new roman,new york,times,serif;">Majid</span><br></pre> </div>
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