Re: [gmx-users] grompp -check14

2006-02-28 Thread David van der Spoel
Dongsheng Zhang wrote: 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 with the option -nocheck14). The error message is as follows: grompp -f md01.mdp -c ala5 -p ala5 -check14 -o full Back Off!

Re: [gmx-users] grompp -check14

2006-02-27 Thread David van der Spoel
Dongsheng Zhang wrote: 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 with the option -nocheck14). The error message is as follows: grompp -f md01.mdp -c ala5 -p ala5 -check14 -o full Back Off!

[gmx-users] grompp -check14

2006-02-27 Thread 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 with the option -nocheck14). The error message is as follows: grompp -f md01.mdp -c ala5 -p ala5 -check14 -o full Back Off! I just backed up mdout.m