[gmx-users] fatal error, running mdrun

[Geraudis Mustelier]

Hi all
Please, someone can explain me what meaning the following error?

Step 0, time 0 (ps)  LINCS WARNING
relative constraint deviation after LINCS:
max 369.129761 (between atoms 486 and 488) rms 13.426302
bonds that rotated more than 30 degrees:
 atom 1 atom 2  angle  previous, current, constraint length
    475    477  108.0    0.1330   0.1337      0.1330
    ...    ....  ...     .....    .....       .....
   3445   3447   92.3    0.1250   0.8337      0.1250
Wrote pdb files with previous and current coordinates
Fatal error: Bond deviates more than half its own length

This error is obtained when is running mdrun. The points are used in order
to short message.
what can I do to correct it?

====================================================================
 MSc. Geraudis Mustelier-Portuondo

 Center of Molecular Immunology
 Calle 216 esq. A 15, Atabey, Playa
 A. Postal 16040, Havana 11600, CUBA

 email: gera at ict.cim.sld.cu
 http://bioinfo.cim.sld.cu

 Tel: 53-7-214335
 Fax: 53-7-335049
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