<DIV> </DIV><DIV> </DIV><SPAN>On 24/07/11, <B class=name>neclaoz </B><ozcelikov@gmail.com> wrote:</SPAN>
<BLOCKQUOTE style="BORDER-LEFT: #00f 1px solid; PADDING-LEFT: 13px; MARGIN-LEFT: 0px" class=iwcQuote cite=mid:CAG9knDD45cALehKE4gQMsNPX8o3e+GzZ=Vo-DipROhchA16w9g@mail.gmail.com type="cite">Hello gromacs users,<br /><br />I am trying to do a MD simulation of graphene growth using Gromacs. However I don't know where to begin? Which potential should I use? So far I was only involved in CNT simulations in gromacs, and I am confused about this growth.</BLOCKQUOTE>
<DIV> </DIV><DIV>The kinds of force fields ordinarily used for MD are unsuited for breaking and forming bonds. I strongly suggest searching the literature for relevant similar work, or being prepared for a lot of hard work. Or both.</DIV><DIV> </DIV><DIV>Mark</DIV>