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Dear Mark and gmx users,<BR>
Thanks again for attention. <BR>Mark wrote:<BR>>1) Geometrically large charge groups affect the group-based <BR>>neighbour-searching problem. Electrically non-integral charge groups <BR>>affect the accuracy of cut-off based electrostatic models. See sections <BR>>in the manual chapters 3 and 4.<BR> <BR>
A charge group contains in total 10 atoms (including 6 H) on 3 different residues. Is it geometrically large charge group? <BR>
<BR>>3) How are you planning to generate your topologies?<BR>
<BR>
I have successfully generated my topologies using pdb2gmx, but the cgnr is not expected. So I am planning to modify this topology.<BR> <BR>>Mark<BR><BR><BR><br /><hr />没有互动，哪来共识？微软地图MSN互动为你提供全新地图浏览体验！ <a href='http://ditu.live.com/?form=TL&swm=1' target='_new'>立即试用！</a></body>
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