AMBER Archive (2004)

Subject: AMBER: Trajectory file conversion between Amber & Charmm

From: CK Sim (
Date: Tue Aug 24 2004 - 15:42:19 CDT

Greetings, I am a user of both Amber and Charmm. My research work involves finding the trajectories of RNA molecules. In Amber, this information is stored in a file called *.traj which I compressed in a file format *.traj.gz. In Charmm, this information is stored in *.dcd. I use both Amber and Charmm frequently. Sometimes, the same input data is run on both Amber and Charmm because they give different information of interest. However, this takes up a lot of computer resources and processing power.

My question, therefore, is that whether there exists a way to convert .traj file formats interchangably from Amber to .dcd file formats in Charmm and vice versa. Hope you can help!

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