Hi Chris,
the segfault was due to the fact that with the sd integrator the constraints
have to be evaluated twice and in the second call there is no pointer to
the velocities present. I have fixed that in the master and release-4-0-
patches branches. The velocity correction is now only done when
Hello,
In my hands, mdrun throws a segfault when passing the -ei flag to
mdrun and utilizing the sd integrator. I'll admit that I have only
tried this with a single system. Nevertheless, using -linacc vs.
-linfix makes no difference, neither does moving to constraints=none
or parallel
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