[gmx-users] Fwd: meaning of -sigfac option in gmx sigeps

Tamisra Pal tamisra1985 at gmail.com
Wed Aug 2 16:31:32 CEST 2017

Previous message: [gmx-users] Dynamics only for cavity in molecule.
Next message: [gmx-users] Error in itp file
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Hi Everyone,
Can anyone help me regarding the -sigfac option in gmx sigeps?
What does this -sigfac imply?
The LJ potential form is
U(r) = (27/4)*epsilon [ (sigma/r)^9 - (sigma/r)^6 ]

-- 
Tamisra Pal

Post Doctoral Research Fellow
Technische Universität Darmstadt
Institut für Festkörperphysik
Hochschulstraße 6
64289 Darmstadt , Germany

Previous message: [gmx-users] Dynamics only for cavity in molecule.
Next message: [gmx-users] Error in itp file
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

More information about the gromacs.org_gmx-users mailing list