saly jackson wrote:
Hi all

Would you please let me know how can I remove the following error when I want to run 'mdrun -v -deffnm H'?


Back Off! I just backed up H.log to ./#H.log.1#
Getting Loaded...
Reading file H.tpr, VERSION 4.5.4 (single precision)
Starting 24 threads
Segmentation fault


Your simulation crashed. The fact that it did so immediately suggests inadequate energy minimization and/or equilibration.

http://www.gromacs.org/Documentation/Terminology/Blowing_Up

-Justin

--
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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