[gmx-users] g_hbond on concatenated trajectory
carlajamous at gmail.com
Fri Oct 15 12:12:21 CEST 2010
No, I don't think so because I did an .eps file (with xpm2ps) that indicates
the Time(ps) in x-axis and Hydrogen Bond Index in y-axis.
This is the way I'm reading my matrix.
On Fri, Oct 15, 2010 at 12:09 PM, Erik Marklund <erikm at xray.bmc.uu.se>wrote:
> Carla Jamous skrev 2010-10-15 12.05:
> Hi everyone,
>> please I need some help on g_hbond.
>> I concatenated 3 trajectories. I ran g_hbond on the concatenated
>> trajectory. I got the result of h_bonds.
>> Then I wanted to run g_hbond on each of my 3 trajectories. Here, I get a
>> different result, it means: if I take the first 10ps of my concatenated
>> trajectory and I run g_hbond on these 10ps. I get some H-bonds eg.
>> but this same H-bond doesn't appear
>> in the first 10ps of my concatenated trajectory's HBmap.
>> Please does anyone have an idea where I might have done a mistake?
>> Thank you,
>> The first thing to check is if you're reading the matrix upside down.
> Sounds trivial, but it's an eaasy mistake to do.
> Erik Marklund, PhD student
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596, 75124 Uppsala, Sweden
> phone: +46 18 471 4537 fax: +46 18 511 755
> erikm at xray.bmc.uu.se http://folding.bmc.uu.se/
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