[gmx-users] system exploid during running
Morteza Khabiri
khabiri at greentech.cz
Mon Sep 15 17:13:40 CEST 2008
Dear gmxuser
Thanks for your advices. Because of your help I could run my solution and
protein together.
but during the run I faced with this warning which cause the run again be
crashed, The message is:
relative constraint deviation after LINCS:
max 0.000615 (between atoms 1731 and 1732) rms 0.000023
bonds that rotated more than 30 degrees:
atom 1 atom 2 angle previous, current, constraint length
1731 1732 30.7 0.1000 0.0999 0.1000
do anybody knows what should I do now?
Thanks
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