From 18331b429bc4db2b23d40a0c4e4dbd628a2495f1 Mon Sep 17 00:00:00 2001 From: Leandro Martinez Date: Mon, 23 Sep 2024 09:52:30 -0300 Subject: [PATCH] update instructions --- docs/userguide.shtml | 16 +++++++++------- 1 file changed, 9 insertions(+), 7 deletions(-) diff --git a/docs/userguide.shtml b/docs/userguide.shtml index 2d2a6f6..6c06ada 100755 --- a/docs/userguide.shtml +++ b/docs/userguide.shtml @@ -52,8 +52,8 @@ Download link. You can download the file -packmol-20.14.4.tar.gz which contains the whole source code of -Packmol. The 20.14.4 is the version number, which might change +packmol-20.15.1.tar.gz which contains the whole source code of +Packmol. The 20.15.1 is the version number, which might change relative to this example.

Windows users: We suggest trying to use the Julia-based distribution @@ -69,19 +69,21 @@ If you plan to use MOLDY as your MD package, read How to compile Packmol

+
Follow these instructions if you have download the Packmol source code. +Most users should have downloaded the Julia wrapper, which doesn't need compilation. -Once you have downloaded the packmol-20.14.4.tar.gz file from the home-page, +Once you have downloaded the packmol-20.15.1.tar.gz file from the home-page, you need to expand the files and compile the package. This is done by:

Expanding the files: -
  tar -xvzf packmol-20.14.4.tar.gz
+
  tar -xvzf packmol-20.15.1.tar.gz
This will create a directory called packmol inside which you can find the source code. You can build the executable by:
  cd packmol
   make
 
That's it, if no error was reported the packmol executable was -built. Note that 20.14.4 is the version number, which may differ +built. Note that 20.15.1 is the version number, which may differ relative to this example.

----- @@ -109,9 +111,9 @@ detected, an executable called packmol is now ready. Running Packmol

+Follow the instructions on running Packmol using the Julia wrapper, which is the easiest way to run Packmol on any platform. -Once you have compiled and built your input file, run Packmol with -

+Alternatively, from the command-line, run Packmol with:

packmol < packmol.inp

Where packmol.inp is the input file (you can obtain example files by