From de6a81cfa4d6e6f5b093bc17f7a7f693411ad959 Mon Sep 17 00:00:00 2001 From: carlocamilloni <carlo.camilloni@gmail.com> Date: Wed, 24 Jul 2019 11:35:25 +0200 Subject: [PATCH] lug-6c --- user-doc/tutorials/aa-lugano-6c.txt | 3 +++ 1 file changed, 3 insertions(+) diff --git a/user-doc/tutorials/aa-lugano-6c.txt b/user-doc/tutorials/aa-lugano-6c.txt index e08fa5785..0fdb10a10 100644 --- a/user-doc/tutorials/aa-lugano-6c.txt +++ b/user-doc/tutorials/aa-lugano-6c.txt @@ -65,6 +65,9 @@ In this exercise you are challanged to - Test more complex CVs maybe taking into accout the role of the other molecules. - Think how to study proton transfer in a general way instead than between two specif water molecules and using a specific hydrongen. +The number of steps in the simulation is initially set to 100, this should be increased so to allow a more extensive exploration of the conformational space. +This simulation can be slow and is better run on a workstation with multiple processors. + */ link: @subpage lugano-6c -- GitLab