[gmx-users] REG: grompp comment

Emanuel Birru Emanuel.Birru at monash.edu
Tue Jan 29 08:13:22 CET 2013 

Hello Subramaniam,

For "Unknown left-hand 'coloumbtype' in parameter file"

There is type in you em.mdp file. Hence, change 'coloumbtype' to the correct spelling 'rcoulomb'

The errors are generated as you are using non default bond types in your 'abnic_Other.itp' so check the bond type in GROMACS original 'ffbonded.itp' files and amend it accordingly. Or assign your own in your itp file.

Cheers,
EB

-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Subramaniam Boopathi
Sent: Tuesday, 29 January 2013 5:56 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] REG: grompp comment

Dear sir,
      i have successfully created .gro file after neccessary correction made in .rtp file. In the grompp_d comment, i am facing following errror.
could how can i rectify this error.
        my comment is ./grompp_d -f em.mdp -c abnic2.gro -p abnic.top -o abnic2.tpr WARNING 1 [file em.mdp, line 12]:
  Unknown left-hand 'coloumbtype' in parameter file



WARNING 2 [file em.mdp, line 12]:
  Unknown left-hand 'rcoloumb' in parameter file


Generated 2278 of the 2278 non-bonded parameter combinations Generating 1-4 interactions: fudge = 0.5 Generated 2278 of the 2278 1-4 parameter combinations

ERROR 1 [file abnic_Other.itp, line 54]:
  No default Bond types


ERROR 2 [file abnic_Other.itp, line 60]:
  No default Bond types


ERROR 3 [file abnic_Other.itp, line 61]:
  No default Bond types


ERROR 4 [file abnic_Other.itp, line 62]:
  No default Bond types


ERROR 5 [file abnic_Other.itp, line 63]:
  No default Bond types


ERROR 6 [file abnic_Other.itp, line 64]:
  No default Bond types


ERROR 7 [file abnic_Other.itp, line 65]:
  No default Bond types


ERROR 8 [file abnic_Other.itp, line 66]:
  No default Bond types


ERROR 9 [file abnic_Other.itp, line 67]:
  No default Bond types


ERROR 10 [file abnic_Other.itp, line 68]:
  No default Bond types


ERROR 11 [file abnic_Other.itp, line 69]:
  No default Bond types


ERROR 12 [file abnic_Other.itp, line 70]:
  No default Bond types


ERROR 13 [file abnic_Other.itp, line 71]:
  No default Bond types


ERROR 14 [file abnic_Other.itp, line 72]:
  No default Bond types


ERROR 15 [file abnic_Other.itp, line 73]:
  No default Bond types


ERROR 16 [file abnic_Other.itp, line 74]:
  No default Bond types


ERROR 17 [file abnic_Other.itp, line 150]:
  No default Angle types


ERROR 18 [file abnic_Other.itp, line 151]:
  No default Angle types


ERROR 19 [file abnic_Other.itp, line 152]:
  No default Angle types


ERROR 20 [file abnic_Other.itp, line 156]:
  No default Angle types


ERROR 21 [file abnic_Other.itp, line 157]:
  No default Angle types


ERROR 22 [file abnic_Other.itp, line 158]:
  No default Angle types


ERROR 23 [file abnic_Other.itp, line 159]:
  No default Angle types


ERROR 24 [file abnic_Other.itp, line 160]:
  No default Angle types


ERROR 25 [file abnic_Other.itp, line 161]:
  No default Angle types


ERROR 26 [file abnic_Other.itp, line 162]:
  No default Angle types


ERROR 27 [file abnic_Other.itp, line 163]:
  No default Angle types


ERROR 28 [file abnic_Other.itp, line 164]:
  No default Angle types


ERROR 29 [file abnic_Other.itp, line 165]:
  No default Angle types


ERROR 30 [file abnic_Other.itp, line 166]:
  No default Angle types


ERROR 31 [file abnic_Other.itp, line 167]:
  No default Angle types


ERROR 32 [file abnic_Other.itp, line 168]:
  No default Angle types


ERROR 33 [file abnic_Other.itp, line 169]:
  No default Angle types


ERROR 34 [file abnic_Other.itp, line 170]:
  No default Angle types


ERROR 35 [file abnic_Other.itp, line 171]:
  No default Angle types


ERROR 36 [file abnic_Other.itp, line 172]:
  No default Angle types


ERROR 37 [file abnic_Other.itp, line 173]:
  No default Angle types


ERROR 38 [file abnic_Other.itp, line 174]:
  No default Angle types


ERROR 39 [file abnic_Other.itp, line 175]:
  No default Angle types


ERROR 40 [file abnic_Other.itp, line 176]:
  No default Angle types


ERROR 41 [file abnic_Other.itp, line 177]:
  No default Angle types


ERROR 42 [file abnic_Other.itp, line 178]:
  No default Angle types


ERROR 43 [file abnic_Other.itp, line 179]:
  No default Angle types


ERROR 44 [file abnic_Other.itp, line 180]:
  No default Angle types


ERROR 45 [file abnic_Other.itp, line 181]:
  No default Angle types


ERROR 46 [file abnic_Other.itp, line 182]:
  No default Angle types


ERROR 47 [file abnic_Other.itp, line 183]:
  No default Angle types


ERROR 48 [file abnic_Other.itp, line 184]:
  No default Angle types


ERROR 49 [file abnic_Other.itp, line 185]:
  No default Angle types


ERROR 50 [file abnic_Other.itp, line 186]:
  No default Angle types


ERROR 51 [file abnic_Other.itp, line 187]:
  No default Angle types


ERROR 52 [file abnic_Other.itp, line 188]:
  No default Angle types


ERROR 53 [file abnic_Other.itp, line 189]:
  No default Angle types


ERROR 54 [file abnic_Other.itp, line 190]:
  No default Angle types


ERROR 55 [file abnic_Other.itp, line 191]:
  No default Angle types


ERROR 56 [file abnic_Other.itp, line 192]:
  No default Angle types


ERROR 57 [file abnic_Other.itp, line 193]:
  No default Angle types


ERROR 58 [file abnic_Other.itp, line 195]:
  No default Angle types


ERROR 59 [file abnic_Other.itp, line 196]:
  No default Angle types


ERROR 60 [file abnic_Other.itp, line 197]:
  No default Angle types


ERROR 61 [file abnic_Other.itp, line 202]:
  No default Proper Dih. types


ERROR 62 [file abnic_Other.itp, line 203]:
  No default Proper Dih. types


ERROR 63 [file abnic_Other.itp, line 204]:
  No default Proper Dih. types


ERROR 64 [file abnic_Other.itp, line 205]:
  No default Proper Dih. types


ERROR 65 [file abnic_Other.itp, line 206]:
  No default Proper Dih. types


ERROR 66 [file abnic_Other.itp, line 207]:
  No default Proper Dih. types


ERROR 67 [file abnic_Other.itp, line 220]:
  No default Proper Dih. types


ERROR 68 [file abnic_Other.itp, line 221]:
  No default Proper Dih. types


ERROR 69 [file abnic_Other.itp, line 222]:
  No default Proper Dih. types


ERROR 70 [file abnic_Other.itp, line 223]:
  No default Proper Dih. types


ERROR 71 [file abnic_Other.itp, line 224]:
  No default Proper Dih. types


ERROR 72 [file abnic_Other.itp, line 225]:
  No default Proper Dih. types


ERROR 73 [file abnic_Other.itp, line 226]:
  No default Proper Dih. types


ERROR 74 [file abnic_Other.itp, line 227]:
  No default Proper Dih. types


ERROR 75 [file abnic_Other.itp, line 228]:
  No default Proper Dih. types


ERROR 76 [file abnic_Other.itp, line 229]:
  No default Proper Dih. types


ERROR 77 [file abnic_Other.itp, line 230]:
  No default Proper Dih. types


ERROR 78 [file abnic_Other.itp, line 231]:
  No default Proper Dih. types


ERROR 79 [file abnic_Other.itp, line 232]:
  No default Proper Dih. types


ERROR 80 [file abnic_Other.itp, line 233]:
  No default Proper Dih. types


ERROR 81 [file abnic_Other.itp, line 234]:
  No default Proper Dih. types


ERROR 82 [file abnic_Other.itp, line 235]:
  No default Proper Dih. types


ERROR 83 [file abnic_Other.itp, line 236]:
  No default Proper Dih. types


ERROR 84 [file abnic_Other.itp, line 237]:
  No default Proper Dih. types


ERROR 85 [file abnic_Other.itp, line 238]:
  No default Proper Dih. types


ERROR 86 [file abnic_Other.itp, line 239]:
  No default Proper Dih. types


ERROR 87 [file abnic_Other.itp, line 240]:
  No default Proper Dih. types


ERROR 88 [file abnic_Other.itp, line 241]:
  No default Proper Dih. types


ERROR 89 [file abnic_Other.itp, line 242]:
  No default Proper Dih. types


ERROR 90 [file abnic_Other.itp, line 243]:
  No default Proper Dih. types


ERROR 91 [file abnic_Other.itp, line 244]:
  No default Proper Dih. types


ERROR 92 [file abnic_Other.itp, line 245]:
  No default Proper Dih. types


ERROR 93 [file abnic_Other.itp, line 246]:
  No default Proper Dih. types


ERROR 94 [file abnic_Other.itp, line 247]:
  No default Proper Dih. types


ERROR 95 [file abnic_Other.itp, line 248]:
  No default Proper Dih. types


ERROR 96 [file abnic_Other.itp, line 249]:
  No default Proper Dih. types


ERROR 97 [file abnic_Other.itp, line 250]:
  No default Proper Dih. types


ERROR 98 [file abnic_Other.itp, line 251]:
  No default Proper Dih. types


ERROR 99 [file abnic_Other.itp, line 252]:
  No default Proper Dih. types


ERROR 100 [file abnic_Other.itp, line 276]:
  No default Improper Dih. types


ERROR 101 [file abnic_Other.itp, line 277]:
  No default Improper Dih. types
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