From 8976cf0230dfe69cfd77a72e313056cab00e06ba Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Sat, 24 Oct 2020 16:39:45 +0200 Subject: [PATCH] Update data.spce The masses were assigned wrongly in the data file (although they eventually get overwritten in the in.gcmc.h2o script) --- examples/gcmc/data.spce | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/examples/gcmc/data.spce b/examples/gcmc/data.spce index 03f10e290f..5459e23014 100644 --- a/examples/gcmc/data.spce +++ b/examples/gcmc/data.spce @@ -28,8 +28,8 @@ LAMMPS data file. CGCMM style. atom_style full generated by VMD/TopoTools v1.8 o Masses - 1 1.007940 # 1 - 2 15.999400 # 2 + 1 15.999400 # 1 + 2 1.007940 # 2 Atoms # full