[gmx-users] Hi,David and everyone insterests in itp

nanyu101 nanyu101 at sina.com
Fri Dec 13 09:49:06 CET 2002


Hi,
  I am sorry to bother you alone.But there are some problems puzzled me very much.I do know that I can create a itp file for a single molecule,such as Urea, TFE and DPPC.In my system, I do a polyester in bilayer.because it is a chain as protein and DNA,what I should do if I want to create itp file for this polyester?Should I create three itp files,one is first monomer;second is the middle monomers;the last is the last monomer.If so,what I should do because the molecule is connected by monomer.There is a little different from a single molecule such as DPPC and Urea.Or I have some other way to resolve it.If so,should I create a termini database for it?How can I manage it?
  I have checked gmx-users maillist, there is nobody who ever met this problem.So I have to ask for you help.I hope you can give me some assistant.

Best wishes,
Xianhui Wu 
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