[gmx-users] gmx sasa

Mohammad Zahidul Hossain Khan za.parash at gmail.com
Thu Aug 10 04:01:01 CEST 2017


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.
-- 


*Mohammad Zahidul Hossain Khan Graduate student**Department of Physics*
*Email: khan5121 at vandals.uidaho.edu <khan5121 at vandals.uidaho.edu>*
* Skype: parash.khan2*
*Cell: +12085967165*


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