From 2680aebf0c76472240c32040d522eeee33ebd678 Mon Sep 17 00:00:00 2001 From: Lorenzo Rovigatti Date: Wed, 27 Mar 2019 10:09:26 +0100 Subject: [PATCH] Fix formatting of the README file --- README.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/README.md b/README.md index f6dbeda..2f09672 100644 --- a/README.md +++ b/README.md @@ -72,6 +72,8 @@ The `LAMMPS_oxDNA.py` script takes one mandatory argument and outputs two files. * An oxDNA topology file (named by suffixing the LAMMPS output file with ".top") * An oxDNA configuration file (named by suffixing the LAMMPS output file with ".oxdna") +--- + ## oxDNA-to-PDB converter The `oxDNA_PDB.py` script takes three mandatory arguments and outputs a single file. Since oxDNA bases has no one-to-one explicit mapping to all-atom representations, the converted structure will most likely require some sort of relaxation procedure before being used as input for all-atom simulation packages. Moreover, when using this script the following points should be taken into account: