Dear friends,<br>iam getting this note while doing pressure coupling of protein-ligand complex. can anybody help me how to handle this??<br><br><br> The largest charge group contains 11 atoms.<br> Since atoms only see each other when the centers of geometry of the charge<br>
groups they belong to are within the cut-off distance, too large charge<br> groups can lead to serious cut-off artifacts.<br> For efficiency and accuracy, charge group should consist of a few atoms.<br> For all-atom force fields use: CH3, CH2, CH, NH2, NH, OH, CO2, CO, etc.<br>
<br>Thanks<br clear="all"><br>-- <br><font color="#6633ff" face="'comic sans ms', sans-serif"><b>Ramya.LN</b></font><br>