[gmx-users] g_hbond on concatenated trajectory
carlajamous at gmail.com
Fri Oct 15 13:29:17 CEST 2010
I'm sorry I don't understand, because your last answer doesn't correspond to
what's written in the manual. I'm using gromacs 4.0.3 and the manual says:
-hbm: existence matrix. Ordering is identical to that in -hbn index file.
And yes, my trajectory is concatenated the way I intended to, but I will
On Fri, Oct 15, 2010 at 1:23 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,
>> Have you confirmed that the concaternation was done the way you intended?
> 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/
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users