[gmx-users] About Box VEctor
jalemkul at vt.edu
Sat Nov 10 15:00:49 CET 2012
On 11/10/12 8:51 AM, vidhya sankar wrote:
> Dear Justin Thank you for your Previous Help Reply.
> I am Doing Protein Lipid Tutorial I Have Done Successive Shrinking (using inflate script) and EM until i reached APL (66.7 A^2) for DPPC in protein After Doing Sufficient Em and Shrinking steps I reaches box size of 6.81123 6.81123 5.00000
> At the End of Last EM
> May it Deviate from initial Box Size (5 5 5) ?
The initial box size of the DPPC lipids in the tutorial is not 5x5x5. The x-y
dimensions are on the order of 6.4 nm, if I recall. The final structure in the
tutorial should have similar box vectors, but again I don't know the exact
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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