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cis proline

Shanyun Lu lusy at lily.lsc.pku.edu.cn
Sun Feb 7 20:44:56 EST 1999

Thanks for the answers from Tony, Xin Jia, Jinsong Liu for my wuestion on the cis proline.The answers are:
   1. set a "patch residue" (patch CIPP)
   2. set much low energy on the omega angle of Proline,so it is easier for the transition between cis and trans
   3  set a parameter patch
 dihedral (name CA and resname * ) ( name C and resname *)
          ( name N and resname PRO ) ( name CA and resname PRO )
          500 1 0.

  I think the best way is 2 or 4 in which the cis and trans conformation is not add by personal will.
  I donot try all of them now.I use the first method and it does well.
Thanks again for the helpful advice.

shanyun lv
Department of Biochemistry and Molecular Biology
Peking University,Beijing

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