[gmx-users] Constraint Error

[Pawan Babel]

Hello gmx-users,

My simulation was truncated due to following error.

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Step 361846, time 723.692 (ps)  LINCS WARNING
relative constraint deviation after LINCS:
max 1.104418 (between atoms 230 and 231) rms 0.098450
bonds that rotated more than 30 degrees:
 atom 1 atom 2  angle  previous, current, constraint length
    218    219   90.0    0.6208   0.2209      0.1090
    220    222   90.2    0.1084   0.1254      0.1090
    230    231   90.0    0.2872   0.2125      0.1010
Constraint error in algorithm Lincs at step 361846

Step 361847, time 723.694 (ps)  LINCS WARNING
relative constraint deviation after LINCS:
max 372413038592.000000 (between atoms 218 and 219) rms 24367785984.000000
bonds that rotated more than 30 degrees:

Constraint error in algorithm Lincs at step 361847
Large VCM(group rest):      4.59862,     32.04837,      7.38148, ekin-cm:
9.02012e+07

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Do anyone have idea how to solve this problem.
thanks in advance
Pawan