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<DIV><FONT face=Arial size=2><SPAN
class=890210920-10052011>Hi,</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=890210920-10052011></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN class=890210920-10052011>I have a protein
simulation in which all residues simulate correctly with the exception of five
in a loop. These five out of 360 are in a loop (or
bend) separate from my area of interest. Thus, I would like to treat
them as a rigid sequence. Using the position restraints in the posre.itp
file does not help me. I am looking for a script that I can write into my
mdp files that restricts all simulation in these five residues. Can
anyone help me with this little issue? Thank you.</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=890210920-10052011></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN class=890210920-10052011>Frank
Neuhaus</SPAN></FONT></DIV></BODY></HTML>