Hi, 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. Frank Neuhaus
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