RE: [gmx-users] How to make a soft repulsive potential wall

2008-10-22 Thread Berk Hess
Date: Wed, 22 Oct 2008 01:22:09 +0800 From: [EMAIL PROTECTED] To: gmx-users@gromacs.org Subject: [gmx-users] How to make a soft repulsive potential wall Hi gmx-users, I was simulating a water-surface system recently. The water molecules will escape from the solid surface, evaporate into

[gmx-users] How to make a soft repulsive potential wall

2008-10-21 Thread Bert
Hi gmx-users, I was simulating a water-surface system recently. The water molecules will escape from the solid surface, evaporate into the vacuum space above the surface, probably never come back and be trapped into the underpart of the surface for periodicity. I want to prevent the evaporating wa