From 1af086e621e7dc88173622eccd82b2eb3ed1e7bb Mon Sep 17 00:00:00 2001 From: Bogdan Iorga Date: Sat, 13 Aug 2016 15:19:59 +0200 Subject: [PATCH] change in system.top template file for compatibility with m24 water model - fixes issue #46 --- mdpow/templates/system.top | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/mdpow/templates/system.top b/mdpow/templates/system.top index b95b219f..64e534e2 100644 --- a/mdpow/templates/system.top +++ b/mdpow/templates/system.top @@ -9,12 +9,12 @@ ; Include forcefield parameters #include "oplsaa.ff/forcefield.itp" -; Include compound topology -#include "compound.itp" - ; Include solvent topology #include "oplsaa.ff/tip4p.itp" +; Include compound topology +#include "compound.itp" + ; Include topology for OPLS/AA ions #include "oplsaa.ff/ions_opls.itp"