[gmx-users] .XTC file could not be found after simulation completion
jalemkul at vt.edu
Thu Sep 14 01:38:17 CEST 2017
On 9/13/17 5:02 AM, Nikhil Maroli wrote:
> You need to add compressed-x-grps in mdp. You can convert trr to xtc if you
compressed-x-grps has no effect without nstxout-compressed, which is the
actual keyword to signal that mdrun should write an .xtc file.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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