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Re: [cnsbb] How to add the topology definition of LLP in a protein

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  • Ed Pozharski
    You don t need to add anything to protein.top etc. Just add your .top and .param files for the ligand to the list at the top of generate.inp ... -- Hurry up
    Message 1 of 2 , May 23, 2012
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      You don't need to add anything to protein.top etc. Just add your .top
      and .param files for the ligand to the list at the top of generate.inp

      On Wed, 2012-05-23 at 19:43 +0000, pingyangliu wrote:
      >
      > Hi
      >
      > I try to create a generate file from a protein pdb file, but the
      > program stopped because the residue LLP not found in topology files.
      >
      > Now I have the LLP.cif, but I do not know how to continue.
      >
      > How to add the topology definition of a LLP in a protein to
      > protein.top?
      >
      > Do I need to add anything to protein.link or protein.param as well?
      >
      > Thank you very much.
      >
      > Best,
      > Andy
      >
      >
      >
      >
      >

      --
      "Hurry up before we all come back to our senses!"
      Julian, King of Lemurs
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