[gmx-users] grompp -check14

Post by Dongsheng Zhang
Dear all,
Has anyone used -check14 for grompp? When I tried it just now, I got
segmentation fault. grompp works fine without the option -check14 (or
grompp -f md01.mdp -c ala5 -p ala5 -check14 -o full
Back Off! I just backed up mdout.mdp to ./#mdout.mdp.1#
checking input for internal consistency…
calling /lib/cpp…
processing topology…
Generated 137 of the 1128 non-bonded parameter combinations
Excluding 3 bonded neighbours for Protein 1
turning H bonds into constraints…
Excluding 2 bonded neighbours for SOL 783
turning H bonds into constraints…
Segmentation fault
Could anyone give me a hand? Thanks a lot in advance!

Fixed in CVS. Will be in 3.3.1.

Post by Dongsheng Zhang
Dongsheng
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David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org folding.bmc.uu.se
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