[gmx-users] trjconv:solute at the center
tsjerkw at gmail.com
Mon Oct 17 19:34:04 CEST 2011
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
On Oct 17, 2011 7:06 PM, "Justin A. Lemkul" <jalemkul at 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.
> Nilesh > > > On Mon, October 17, 2011 11:27 am, Justin A. Lemkul wrote: >
>> Nilesh Dhumal wrote...
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