Hey :) The reference plays no role in centering. But I guess that Nilesh expects centering of the solute w.r.t. to the solvent, or is looking at the wrong center (tric/rect).
Cheers, Tsjerk On Oct 17, 2011 7:06 PM, "Justin A. Lemkul" <jalem...@vt.edu> wrote: Nilesh Dhumal wrote: > > Thanks Justin, > > Still solute is not at center. > Is your reference frame (i.e. the .tpr file) centered? If not, centering likely won't work as desired. I assumed that it was centered, per normal system building procedures. -Justin > Nilesh > > > On Mon, October 17, 2011 11:27 am, Justin A. Lemkul wrote: > >> Nilesh Dhumal wrote...
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