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<DIV> Dear all <BR style="BACKGROUND-COLOR: rgb(255,255,255)"><SPAN style="BACKGROUND-COLOR: rgb(255,255,255)">I'm working on simulation of adsorption on the sheet .</SPAN><SPAN style="BACKGROUND-COLOR: rgb(255,255,255)"><BR><SPAN style="BACKGROUND: none transparent scroll repeat 0% 0%; CURSOR: pointer" id=yiv165992370lw_1297078245_0 class=yiv165992370yshortcuts>I use periodic boundary conditions </SPAN>in two dimension (X,Y) .<BR>in my work the initial configurations were minimized at first </SPAN>then system equilibrated for 100 ps and followed by 500 ps production run.<BR>when I look at the .xtc and .gro file by <SPAN style="BACKGROUND-COLOR: rgb(255,255,255)">" vmd " in the end</SPAN> of my work (after final mdrun), the particles are so much far from the sheet and realy no adsorption occur.sheet repulsed particles I also understood that after equilibration step the particle start to geting distance from sheet.</DIV>
<DIV>I made the parameters of force field for the sheet by own ( bonding and nonbonding ) , because a proper force field for my compound didn't exist in defualt gromacs.</DIV>
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<DIV>why adsorption don't occur ?<BR><BR>any help will highly appreciated.<BR><BR><BR></DIV></TD></TR></TBODY></TABLE></DIV></TD></TR></TBODY></TABLE></DIV></TD></TR></TBODY></TABLE></DIV></TD></TR></TBODY></TABLE></DIV></TD></TR></TBODY></TABLE></DIV></TD></TR></TBODY></TABLE></DIV></td></tr></table><br>