[gmx-users] no default dihedrals types

nanyu101 nanyu101 at sina.com
Mon Dec 23 04:03:46 CET 2002


Dear all gmx-users,
  I have created my own ffG43a1.rtp and ffG43a1bon.itp files,but every time I run the system.Gromacs told me there are no default dihedrals' types when I run grompp.

WARNING 2 [file "hb.top", line 196]:
  No default Proper Dih. types, using zeroes
WARNING 3 [file "hb.top", line 204]:
  No default Proper Dih. types, using zeroes
WARNING 4 [file "hb.top", line 212]:
  No default Proper Dih. types, using zeroes
WARNING 5 [file "hb.top", line 220]:
  No default Proper Dih. types, using zeroes
WARNING 6 [file "hb.top", line 228]:
  No default Proper Dih. types, using zeroes


I have added the dihedral type in ffG43a1bon.itp file as gd_22 and gd_23.I suppose my faults is here, if so,how can I define this dihedrals' types in my system?If not,what's the reason?

Thanks for your kind assistant.

Best wishes,
XInahui Wu
______________________________________

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