Cannot view .trr in VMD

OpenMM Zephyr provides a visual application for running GPU-accelerated molecular simulations.
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Gary Skinner
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Joined: Wed Mar 11, 2009 2:16 am

Cannot view .trr in VMD

Post by Gary Skinner » Fri Jun 04, 2010 2:37 am

I have started trying out Zephyr for simulating and I have run into a problem. I simulated a molecule for 30,000ps, this finished successfully, and I could view the resulting simulation in VMD no problem. Now, when I load up VMD again, load in the original (and even the processed .pdb file), I cannot then load the .trr file into the molecule. One thing I have noticed is that the number of atoms don't match, my original model has 1581 atoms, but the trajectory has 1583. Can anyone help please.
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Gary Skinner
Posts: 6
Joined: Wed Mar 11, 2009 2:16 am

RE: Cannot view .trr in VMD

Post by Gary Skinner » Mon Jun 07, 2010 7:50 am

I have found that I can load the .gro file, and then load the .trr data into that. However, I was sure that I had been able to load the data into the original .pdb file at some point.
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