potential (let's say 3000, ok?) and dt=2
ft, which value is definitely not recommended by Martini developers.
With Regards,
Jiangfeng.
Message: 3
Date: Tue, 22 May 2012 18:53:54 +0200
From: Thomas Schlesierschl...@uni-mainz.de
Subject: [gmx-users] Re: Wierd results from Umbrella sampling, (Justin
Think it would be best to show the .mdp file, else we can only guess
what the parameters are.
From the histogram it looks like that the force constant of the
restraining potential is too low, since the histograms are really wide,
but pull_k1=1000 is a 'normal' value.
On thing which confueses me
.
Message: 3
Date: Tue, 22 May 2012 16:36:47 +0200
From: Thomas Schlesierschl...@uni-mainz.de
Subject: [gmx-users] Re: Wierd results from Umbrella, sampling (Justin
A. Lemkul)
To:gmx-users@gromacs.org
Message-ID:4fbba47f.5010...@uni-mainz.de
Content-Type: text/plain; charset=ISO-8859-1
.
With Regards,
Jiangfeng.
Message: 3
Date: Tue, 22 May 2012 16:36:47 +0200
From: Thomas Schlesierschl...@uni-mainz.de
Subject: [gmx-users] Re: Wierd results from Umbrella, sampling (Justin
A. Lemkul)
To:gmx-users@gromacs.org
Message-ID:4fbba47f.5010...@uni-mainz.de
Content-Type: text/plain
4 matches
Mail list logo
