RE: [gmx-users] Walls & user defined potential

2008-10-22 Thread Berk Hess
Date: Wed, 22 Oct 2008 05:55:16 +0800 From: [EMAIL PROTECTED] To: gmx-users@gromacs.org Subject: [gmx-users] Walls & user defined potential Hi gmx-users and developers, I met a strange error when using wall function combined with user defined potential. Following is a part of the

[gmx-users] Walls & user defined potential

2008-10-21 Thread Bert
Hi gmx-users and developers, I met a strange error when using wall function combined with user defined potential. Following is a part of the mdp: vdw-type = user energygrps = Surf SOL ; WALLS