Tsjerk / Insane

INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
GNU General Public License v2.0
39 stars 24 forks source link

Wrong number of lipid when using absolute numbers #48

Closed jbarnoud closed 7 years ago

jbarnoud commented 7 years ago

The following command does not produce the expected number of lipids:

insane -l DOPC=72 -dz 15 -o plop.gro

While I expect 144 DOPC molecules, 72 molecules per leaflet, I only get 128 DOPC molecules in the resulting GRO file. The TOP file reports 72 DOPC per leaflet as expected, though.