Merge pull request NMRLipids#166 from NMRLipids/bot/info_yaml_20251227230355

Upload Portal: Simulation files from Markus S. Miettinen

Author: markussmiettinen

UserData/info.yml

@@ -1,11 +1,11 @@
-DOI: 10.5281/zenodo.10259847
+DOI: 10.5281/zenodo.10253820
 TRJ: production.xtc
 TPR: production.tpr
 SOFTWARE: gromacs
 PREEQTIME: 3
-TIMELEFTOUT: 200
+TIMELEFTOUT: 50
 TEMPERATURE: 310
-SYSTEM: POPI-POPE (80:20), full hydration, 310 K, NH4+ counter ions
+SYSTEM: POPI-POPC (80:20), full hydration, 310 K, NH4+ counter ions
 AUTHORS_CONTACT: Kurki, Milla
 SOFTWARE_VERSION: '2022.4'
 FF: CHARMM36
@@ -19,9 +19,9 @@ COMPOSITION:
   POPI:
     NAME: POPI
     MAPPING: mappingPOPIcharmm.yaml
-  POPE:
-    NAME: POPE
-    MAPPING: mappingPOPEcharmm.yaml
+  POPC:
+    NAME: POPC
+    MAPPING: mappingPOPCcharmm.yaml
   SOL:
     NAME: TIP3
     MAPPING: mappingTIP3PCHARMMgui.yaml