r</span>(i=0;i&lt;pdb-&gt;<a class="code" href="structs__pdb.html#85aaf7bdb931bb303af1ca736a998b98">natoms</a>;i++){
<a name="l00113"></a>00113         a=pdb-&gt;<a class="code" href="structs__pdb.html#4517e3a82dbf0f34e73d1865e484dbfd">latoms_p</a>[i];
<a name="l00114"></a>00114         <span class="comment">//consider only heavy atoms for vdw incr.</span>
<a name="l00115"></a>00115         <span class="keywordflow">if</span>(strncmp(a-&gt;<a class="code" href="structs__atm.html#c80daffa94edeadd30433f6653e0