[gmx-users] David,about itp again!!!!
nanyu101 at sina.com
Sat Dec 14 02:26:10 CET 2002
David,I have done just as you told me.But I face the same thing as before.There are no any parameter in *.top file after running pdb2gmx.I think I should create a itp file for residues.In the maillist and manual, there are many examples about how to create an itp file for a single molecule, not for a residue such as amino acid.In my system,there is a polyester.So I suppose that I should create three itp files,one for the first residue;one for the middle residues;one for the last residue.If it's really so,how can I do that?If not,what I can do next?
Thanks for your assistant last time.
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