On 8/9/17 10:00 PM, Mohammad Zahidul Hossain Khan wrote:
Dear Sir

Does anyone know how to measure the SASA energy with unit (kj/mol or
kcal/mol)

when i give this command:
*gmx sasa -f b.trr -s b.tpr -o b.xvg*
I got in Y-axix "Area (nm\S2\N)"

and when I give this command
*gmx sasa -f b.trr -s b.tpr -odg b.xvg*
I got in Y axix "D Gsolv"
but I do not know the unit.
GROMACS always uses SI units (see chapter 2 of the PDF manual).

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

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