<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Dear all,</FONT></DIV>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></DIV>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></DIV>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></DIV>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt; TEXT-ALIGN: justify"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>I am trying to perform simulation of a protein with several ligands, in case of certain ligands I found that the ligand <SPAN style="mso-spacerun: yes"> </SPAN>is coming out of the protein after 5-6 ns. I have checked the energy of the system, but it does not show any abrupt change, still the ligand is coming out of protein after a certain time.Is it due to steric hindrance during the course of the simulation or something else? I can not debug, please help. Thanks in advance. </FONT></FONT></DIV>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt; TEXT-ALIGN: justify"><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></DIV>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt; TEXT-ALIGN: justify"><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></DIV>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt; TEXT-ALIGN: justify"><FONT face="Times New Roman" size=3>regards</FONT></DIV>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt; TEXT-ALIGN: justify"><FONT face="Times New Roman" size=3>Sangeeta</FONT></DIV></td></tr></table><br>
<!--6--><hr size=1></hr> Add more friends to your messenger and enjoy! <a href="http://in.rd.yahoo.com/tagline_messenger_6/*http://messenger.yahoo.com/invite/"> Invite them now.</a>