Hi, ALL<div><br></div><div> I have a question about the charge defined in the topology file.</div><div> It seems to me that the charge for each atom apprears twice in different sections of the topology files.</div>
<div>------------------------------------------------------------------------------</div><div> One is </div><div><div>[ atomtypes ]</div><div>;name mass charge ptype c6 c12</div></div><div><br>
</div><div> The other is</div><div><div>[ atoms ]</div><div>; id at type res nr residu name at name cg nr charge</div></div><div>------------------------------------------------------------------------------</div>
<div> And the charge number in [ atomtypes ] are always 0.0.</div><div> Which one is actually read by gromacs program ?</div><div><br></div><div> Thanks,</div><div><br></div><div> Guozhen Zhang</div>
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