VMD-L Mailing List
From: Ronald Cohen (rcohen_at_carnegiescience.edu)
Date: Mon Jul 29 2024 - 14:06:41 CDT
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I have followed up this in the course of the plugins, and not only does vmd not read the cell parameters correctly with a variable cell, but it even reads the atomic positions wrong!
It converts them to cartesian coordinates (angstroms) using the cell of the first frame.
Ronald Cohen
- Next message: Diego Gomes: "Re: compile vmd-1.9.4a57 source - OptiXRenderer.h:84:10: fatal error: optix_math.h: No such file or directory"
- Previous message: Bennion, Brian: "Re: selecting first instance of a ligand from several in pdb file"
- In reply to: Josh Vermaas: "Re: selecting first instance of a ligand from several in pdb file"
- Next in thread: Diego Gomes: "Re: VMD reads vasp files with variable cells incorrectly"
- Reply: Diego Gomes: "Re: VMD reads vasp files with variable cells incorrectly"
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