[gmx-users] No default U-B types

라지브간디 rajiv at kaist.ac.kr
Tue Mar 12 14:26:19 CET 2013


Dear gmx users.


I have specified the bond line for heme with CO ligand in specbond.dat and it created topology with special bond in bond type.  However, when i come to the steps of atomic-level description of our system in the binary file using ions.tpr, i got an following error.




ERROR 1 [file topol_Other_chain_A2.itp, line 265]:
  No default U-B types




ERROR 2 [file topol_Other_chain_A2.itp, line 343]:
  No default U-B types

How do i avoid this error ? Thanks in advance.


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