From 369bff2c0b12a232edc1dc21f011c3d62959f577 Mon Sep 17 00:00:00 2001 From: SSNbehera Date: Tue, 27 Feb 2024 13:10:00 +0100 Subject: [PATCH] Modified README.mdp file --- README.md | 1 + 1 file changed, 1 insertion(+) diff --git a/README.md b/README.md index ddc3111b..13f0ab1a 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,6 @@ # pmx ## Introduction ## +(The 'master' branch is written in Python 2. For Python 3 version and Icolos support use 'develop' branch.) pmx (formerly pymacs) has started as a small bunch of classes to read structure files such as pdb or gro and trajectory data in gromacs xtc format. Over the years it has been extended towards a versatile (bio-) molecular structure manipulation package with some additional functionalities, e.g. gromacs file parsers and scripts for setup and analysis of free energy calculations.