[gmx-users] turn off pdb output

David Mobley dmobley at gmail.com
Mon Mar 19 18:28:42 CET 2007


Under some circumstances, mdrun writes out pdb files with previous and
current coordinates. Is there some way I can turn this off?

For reasons I'd rather not explain, I'm reprocessing a single
precision trajectory using the double precision version of mdrun, and
this results in pdb files being written every step. For obvious
reasons, I would like to avoid this.


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