[gmx-users] David,I'm not clear of your words in itp

[nanyu101]

Hi,
  Sorry,you said that itp file can't work for chain.What can I do next?Should I have other choices?I see,if I can resolve the puzzle of atp file,I can run pdb2gmx to create a top and gro file,but there are no any parameter of angles,dihedrals and bonds in top.How can I resolve this?

  By the way,I am still confused by atp file.My file of **.pdb, ffgmx.rtp and ffgmx.atp in working directory(/share/exp1,I have tried the other directory, /share/tutor/exp).The sysytem just told me below and halted.

Using ffgmx force field
Opening library file ffgmx.atp
Atomtype 52

  Yesterday,I think it is running,so I didn't close it.But this morning,I saw is halted at there.So,what's wrong with my system?

Best,
Xianhui Wu

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