[gmx-users] Re: g_hbond error "Your computational box has shrunk too much"
David van der Spoel
spoel at xray.bmc.uu.se
Wed Oct 18 15:43:35 CEST 2006
andrea carotti wrote:
> The problem is that i don't have an energy file cause this time I'm
> using gromacs only for analyze my trajs...so I don't know how to make
> the plot you suggested. Now perhaps I've found a workaroud using trjconv
> with the option -box 1 1 1 set, but I' don't know if this could be
make it a realistic size, maybe 3 3 3
> (I've checked the ouput traj in VMD and seems fine, and with it g_hbond
> is working)
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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 http://folding.bmc.uu.se
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