Gismo Small Problem

[sperezconesa]

Hello,

I found a small improvement that could be done to gismo. If you try to load a COLVAR file which has several headers inside, because you have done a RESTART, GISMO complains saying that the number of frames in the COLVAR is incorrect. Though this is something small, these type of problems might scare off more unexperienced users.

Also I think it would be nice if you could load a COLVAR that has less or more frames than the trajectory, and just give a warning rather than an error. This would be useful since when you analyze a trajectory that is not finished the COLVAR file is typically larger than the trajectory.

Thank you very much in advance!

Sergio Pérez-Conesa

[gtribello]

Hello

Thanks for these comments. The headers thing is easy enough to fix and I will try to get it done in the not too distant future. The second problem is much harder. Essentially you are going to be forced to make some assumption about what the user has done in order to match the individual colvar values to the trajectory frames. This makes me a little uncomfortable.

Separately there has been a lot of work done on a sort of GISMO version 2 as GISMO is not really being maintained anymore as I don't really have the time. The plan is to replace GISMO with the online tool here:

http://sketchmap.org/index.html?page=view

We are getting closer to this but erm... watch this space.

[sperezconesa]

Great! I will watch out for it!

Thanks,
Sergio

[sandipde]

Hi, The new tools Gareth mentioned are at interactive.sketchmap.org .. the link he sent has the old outdated version. Thank you Best Regards Sandip

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On Thu, Aug 16, 2018 at 12:55 PM sperez14 ***@***.***> wrote: Great! I will watch out for it! Thanks, Sergio — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#5 (comment)>, or mute the thread <https://github.com/notifications/unsubscribe-auth/AKytCaIOFKv5v2znjoNcRmAkXrrb2CeYks5uRU-kgaJpZM4VwU6M> .