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<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US>Thank you for
advice.<SPAN style="mso-spacerun: yes"> </SPAN>In my case I have receptor
protein with a ligand inside the active site of the receptor. <SPAN
style="mso-spacerun: yes"> </SPAN></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US><SPAN
style="mso-spacerun: yes"></SPAN>I need to constrain distance between one of the
receptors atom and one of the ligands atom to </SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US>force a proper
orientation of the ligand during the simulation. <SPAN
style="mso-spacerun: yes"> </SPAN>As I understand <SPAN
style="mso-spacerun: yes"> </SPAN>I have to </SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US>combine both
topologies (for receptor and ligand) and then put it in a single *.tip
file.<SPAN style="mso-spacerun: yes"> </SPAN></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US><SPAN
style="mso-spacerun: yes"> </SPAN>Is there a simple way to <SPAN
style="mso-spacerun: yes"> </SPAN>rewrite/renumber all the atoms of the
ligand?</SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN
lang=EN-US>Michal</SPAN></P></DIV></BODY></HTML>