[gmx-users] warning mesgs

rams rams rams.crux at gmail.com
Sat Jun 28 00:51:04 CEST 2008


Hi,

I have three di sulphide bonds in my crystal structure. In the topology file
it left blanks at the corresponding sulphur connectivities (i.e., values
corresponding to gb_, ga_. gd_ ). When I try to create the .tpr file it
complains the following:

processing topology...
Generated 716 of the 2628 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 1
Generated 1046 of the 2628 1-4 parameter combinations
WARNING 1 [file "insu_pwi.top", line 607]:
  No default G96Bond types, using zeroes
WARNING 2 [file "insu_pwi.top", line 745]:
  No default G96Bond types, using zeroes
WARNING 3 [file "insu_pwi.top", line 2008]:
  No default G96Angle types, using zeroes
WARNING 4 [file "insu_pwi.top", line 2209]:
  No default G96Angle types, using zeroes
WARNING 5 [file "insu_pwi.top", line 2345]:
  No default G96Angle types, using zeroes
WARNING 6 [file "insu_pwi.top", line 2512]:
  No default G96Angle types, using zeroes
WARNING 7 [file "insu_pwi.top", line 2748]:
  No default Proper Dih. types, using zeroes
WARNING 8 [file "insu_pwi.top", line 2820]:
  No default Proper Dih. types, using zeroes
WARNING 9 [file "insu_pwi.top", line 2863]:
  No default Proper Dih. types, using zeroes
WARNING 10 [file "insu_pwi.top", line 2919]:
  No default Proper Dih. types, using zeroes
Cleaning up temporary file gromppID2O6e
-------------------------------------------------------
Program grompp, VERSION 3.3.1
Source code file: fatal.c, line: 416

Fatal error:
Too many warnings, /usr/local2/gromacs/bin/grompp terminated
-------------------------------------------------------

"Encountered Subspace Anomaly" (Star Trek)

MD_insu.tpr was not created. Check for errors. Exiting ...

Is there a way to fix it ? Also what are those b_, ga_. gd_ corresponds to
??

Ram.
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