From b24dbbcf68b51ae82790a8f01bdb4409b2330b78 Mon Sep 17 00:00:00 2001 From: Carlo Camilloni Date: Fri, 12 Jan 2024 11:21:05 +0100 Subject: [PATCH] write the trajecotory more often to better see lipid movements --- Data/martini/martini_eq.mdp | 2 +- Data/martini/martini_md.mdp | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/Data/martini/martini_eq.mdp b/Data/martini/martini_eq.mdp index 386e63f..ced8653 100644 --- a/Data/martini/martini_eq.mdp +++ b/Data/martini/martini_eq.mdp @@ -23,7 +23,7 @@ nstvout = 0 nstfout = 0 nstlog = 10000 ; Output frequency for energies to log file nstenergy = 100 ; Output frequency for energies to energy file -nstxtcout = 1000 ; Output frequency for .xtc file +nstxtcout = 200 ; Output frequency for .xtc file xtc_precision = 100 xtc-grps = energygrps = DPPC W diff --git a/Data/martini/martini_md.mdp b/Data/martini/martini_md.mdp index 29d24e3..73994bd 100644 --- a/Data/martini/martini_md.mdp +++ b/Data/martini/martini_md.mdp @@ -23,7 +23,7 @@ nstvout = 0 nstfout = 0 nstlog = 10000 ; Output frequency for energies to log file nstenergy = 100 ; Output frequency for energies to energy file -nstxtcout = 1000 ; Output frequency for .xtc file +nstxtcout = 200 ; Output frequency for .xtc file xtc_precision = 100 xtc-grps = energygrps =