Hello<br><br>I am trying to simulate lipase in water in ffamber99sb-ildn. Chosen "cubic" as box with distance of 1nm b/w solute n box.<br>Protein is going out of the box after equilibration step. Any solution?<br>
<br>Should i use <b>freezegrps</b> option to restrict protein movement. Please provide some light to this option. What effect it will have on the whole system?<br clear="all"><br>-- <br>Yuvraj <br><br>