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mappling multiple frames at once about ctp HOT 1 CLOSED

 avatar commented on August 11, 2024
mappling multiple frames at once

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JensWehner avatar JensWehner commented on August 11, 2024

to my knowledge votca-ctp does not support loading more than one frame. We
normally make different sql files for the individual frames.

I think it is also not planned for the future, because it would require a completely new sql-structure. If you want to give it a try, any contribution is still very welcomed.

Cheers Jens

2015-11-29 18:57 GMT+01:00 babinch [email protected]:

Hi

I have tried to load 10 frame trajectories by ctp_map -t topol.tpr -c
trj.gro -s map.xml -f state.sql

While trj.gro file has 10 frames, only one frame can be loaded.
I tried to use --nframes 10 and it seems not working
also tried xml with 10 many times.

What am I missing?


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