VMD-L Mailing List
From: J. Matthew Franklin (frank131_at_msu.edu)
Date: Tue Dec 27 2011 - 15:38:23 CST
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Hi,
I want to generate pdb files for every 100 frames of a simulation.
I have the .xtc file for the simulation, but to my knowledge, this only
contains coordinates and not enough information to generate a pdb.
When I tried to "save coordinates" as a pdb in VMD, I got an error:
Molecule's structure has not been intialized.
I'm guessing that I can load some other file with information about the
element of each atom, etc?
Any help would be appreciated.
Thanks,
Matt
- Next message: Axel Kohlmeyer: "Re: using xtc file to generate pdb's"
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- Reply: Bogdan Costescu: "Re: using xtc file to generate pdb's"
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