Hello, please tell me how to read mtop structure?<br><blockquote style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;" class="gmail_quote"><pre>int index=0;<br>for(j=0;j<<a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_mtop_t" title="">mtop</a>->nmolblock;j++) <i>//enum all molecule types</i><br>
{<br> for(k=0;k<<a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_mtop_t" title="">mtop</a>-><a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_molblock_t" title="">molblock</a>[j].nmol;k++) <i>//enum all instances of each molecule type</i><br>
{<br> for(l=0;l<<a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_mtop_t" title="">mtop</a>-><a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_moltype_t" title="">moltype</a>[ <a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_mtop_t" title="">mtop</a>-><a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_molblock_t" title="">molblock</a>[j].type].<a href="http://atoms.nr">atoms.nr</a>;l++) <i>//enum atoms</i><br>
{<br> <a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#t_atom" title="">t_atom</a>* atom_info=&<a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_mtop_t" title="">mtop</a>-><a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_moltype_t" title="">moltype</a>[ <a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_mtop_t" title="">mtop</a>-><a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#gmx_molblock_t" title="">molblock</a>[j].type].atoms.atom[l];<br>
rvec* atom_position=&<a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#t_state" title="">state</a>-><a href="http://wiki.gromacs.org/index.php/Gromacs_Intro#X" title="">x</a>[index];<br> index++;<br>
}<br> }<br>}</pre></blockquote><div>Thanks in advance! <br></div><br>