Skip to content

Commit c83fbc4

Browse files
Add info.yml from matejkanduc
1 parent af66907 commit c83fbc4

1 file changed

Lines changed: 20 additions & 0 deletions

File tree

UserData/info.yml

Lines changed: 20 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,20 @@
1+
DOI: 10.5281/zenodo.20579050
2+
TRJ: MD1.5.xtc
3+
SOFTWARE: gromacs
4+
PREEQTIME: 0
5+
TIMELEFTOUT: 20
6+
TEMPERATURE: 333
7+
SYSTEM: Fully hydrated DLPC bilayer in SPC/E water (LJ-PME)
8+
AUTHORS_CONTACT: Matej Kanduc
9+
SOFTWARE_VERSION: Gromacs 2022
10+
FF: CHARMM36/LJ-PME
11+
EDR: MD1.5.edr
12+
TPR: MD1.5.tpr
13+
GRO: init.gro
14+
COMPOSITION:
15+
DLPC:
16+
NAME: DLPC
17+
MAPPING: mappingDLPCcharmm.yaml
18+
SOL:
19+
NAME: SOL
20+
MAPPING: mappingSPCwater.yaml

0 commit comments

Comments
 (0)