[gmx-users] bonds that rotated more than 30 degrees:

Yanmei Song ysong30 at asu.edu
Thu Oct 29 22:48:05 CET 2009

Dear Users:

I used all-bonds for constraints. My MD is dead right after i submit the
task. The error message is :

Step 0, time 0 (ps)  LINCS WARNING
relative constraint deviation after LINCS:
max 2.084475 (between atoms 23417 and 23431) rms 0.054595
bonds that rotated more than 30 degrees:

Anyone knows what is the problem and how i can fix it?

Yanmei Song
Ph.D. Candidate
Department of Chemical Engineering
Arizona State University
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