Author Topic: problem with reading xyz trajectory  (Read 92 times)

gjuhasz

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problem with reading xyz trajectory
« on: March 24, 2018, 06:38:25 PM »
First of all, I am new using Ovito, so please feel free to point out if I forgot something obvious.

The situation:
I am doing MD calculations with a software called DFTB+, which generates xyz coordinates during calculations. Unfortunately, If I try to load this file to OVITO, it reads only a single frame from the trajectory.

Any tip how can I fix this?
Thank you

Alexander Stukowski

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Re: problem with reading xyz trajectory
« Reply #1 on: March 25, 2018, 01:26:51 PM »
Hi,

Let me point you to the corresponding section in the user manual:

http://ovito.org/manual/usage.import.html

You need to activate the "File contains time series" option after loading the XYZ file in OVITO. This is for Ovito 2.9.0. The upcoming program version 3.0 will detect multi-timestep files automatically and activate this option for you.

-Alex

gjuhasz

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Re: problem with reading xyz trajectory
« Reply #2 on: March 27, 2018, 10:41:10 AM »
Hi,
Thank you for the help. It works now perfectly.
Greg