shivangi nangia wrote:
Hi Justin,
I used 15 nm cubic box and 6 nm shell.
I again tried to insert only 1 histidine molecule in the sphere. I get
the same error
Fatal error:
One of the box vectors has become shorter than twice the cut-off length
or box_yy-|box_zy| or box_zz has become smaller than the cut-off.
Please provide the exact command that gives the error. I cannot reproduce this
using a shell value less than half a box vector. You may also want to try
starting from a clean directory - get rid of old files and intermediates so
you're sure you're using the right files.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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