<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Dear Gromacs Users,</DIV>
<DIV> </DIV>
<DIV>I have just completed one (5ns ) mdrun. </DIV>
<DIV> </DIV>
<DIV>Now If i want to calculate the interaction energy between two residues, my ligand and ASP104, how should I go about calculating the same.</DIV>
<DIV> </DIV>
<DIV>The one option I know is by creating .ndx . But I did not expect this residue to play an important role when i started my simulation. So i did not include this protein residue ASP104 as a seperate group. </DIV>
<DIV> </DIV>
<DIV>Kindly advice.</DIV>
<DIV> </DIV>
<DIV>regards,</DIV>
<DIV>nahren</DIV></td></tr></table><br>