[gmx-users] problem with pulling

Alexander yakovenko_a at ukr.net
Tue Jan 27 10:22:01 CET 2004

Hi Michael,

I use gromacs-3.1.1, gromacs-3.1.4 didn't launch even under RH7.2, but this may be problem with my pull.ppa file. Is there any possible problems with PentiumIV machine with new kernel and pull MD? Did you try to launch pulling with gromacs 3.2?

Thank you,

>> Hi All!
>> I have the next problem: mdrun successfuly work with AFM pulling
>> under RedHat 7.2, but the same mdrun file with the same pull.ppa,
>> pull.ndx and pull.tpr doesn`t work (Segmentation fault) with new
>> kernels (RH8.0,RH9.0,Suse9.0).
>> The compilation with new gcc does not effect too. How can I solve
>> this problem?
>with afm/umbrella sampl., gmx-3.1.4 and redhat9.0 afm seems to
>work for me, in the constraint mode the COM group 1 is NOT
>constrained and I also find other kinds of strange behaviour, but
>no segmentation faults, which gromacs version do you use ?

Best regards,

Alexander Yakovenko
Institute of Molecular Biology & Genetic of NAS of Ukraine
acad.Zabolotnogo str. 150
E-mail: yakovenko_a at ukr.net

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