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

Tamisra Pal tamisra1985 at gmail.com
Thu Aug 3 16:17:47 CEST 2017

Hi All,
Can anyone help me regarding the -sigfac option in gmx sigeps?
What does this -sigfac mean?
And, is the C6, C9 terms correspond to the C6, C9 terms in the ffnonbonded.itp?
 I am using the LJ potential form,
U(r) = (27/4)*epsilon [ (sigma/r)^9 - (sigma/r)^6 ]

any help would be appreciated

Tamisra Pal

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


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