[gmx-users] gmx sasa

[Justin Lemkul]

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

-- 
==================================================

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

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

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

==================================================