From c33d4bbc989b53f785668fe22e911b309d1e92aa Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 9 Apr 2010 14:58:45 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3974 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- bench/in.rhodo | 4 ++-- bench/in.rhodo.scaled | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/bench/in.rhodo b/bench/in.rhodo index 295fb4539f..bd7e3df7f5 100644 --- a/bench/in.rhodo +++ b/bench/in.rhodo @@ -15,8 +15,8 @@ kspace_style pppm 1e-4 read_data data.rhodo fix 1 all shake 0.0001 5 0 m 1.0 a 232 -fix 2 all npt 300.0 300.0 100.0 & - aniso NULL NULL NULL NULL 0.0 0.0 1000.0 +fix 2 all npt temp 300.0 300.0 100.0 & + z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1 special_bonds charmm diff --git a/bench/in.rhodo.scaled b/bench/in.rhodo.scaled index 57833e6dc2..3debe44867 100644 --- a/bench/in.rhodo.scaled +++ b/bench/in.rhodo.scaled @@ -22,8 +22,8 @@ read_data data.rhodo replicate $x $y $z fix 1 all shake 0.0001 5 0 m 1.0 a 232 -fix 2 all npt 300.0 300.0 100.0 & - aniso NULL NULL NULL NULL 0.0 0.0 1000.0 +fix 2 all npt temp 300.0 300.0 100.0 & + z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1 special_bonds charmm