From: "pim schravendijk" <[EMAIL PROTECTED]>
Reply-To: [EMAIL PROTECTED],Discussion list for GROMACS users
To: gmx-users@gromacs.org
Subject: Re: [gmx-users] Energy profile with umbrella sampling
Date: Wed, 12 Jul 2006 14:30:04 +0200
On 7/11/06, [EMAIL PROTECTED] &
On 7/11/06, [EMAIL PROTECTED]
<[EMAIL PROTECTED]
> wrote:Send gmx-users mailing list submissions to
gmx-users@gromacs.orgFrom: "Berk Hess" <[EMAIL PROTECTED]>Subject: Re: [gmx-users] Energy profile with umbrella sampling
>From: "pim lists" <
[EM
From: "pim lists" <[EMAIL PROTECTED]>
Reply-To: [EMAIL PROTECTED],Discussion list for GROMACS users
To: gmx-users@gromacs.org
Subject: Re: [gmx-users] Energy profile with umbrella sampling
Date: Tue, 11 Jul 2006 07:48:09 +0200
On 7/10/06, [EMAIL PROTECTED] <[EMAI
On 7/10/06, [EMAIL PROTECTED] <[EMAIL PROTECTED]
> wrote:
From: "Robert fiske" <[EMAIL PROTECTED]
>Subject: [gmx-users] Energy profile with umbrella samplingWe are using umbrella sampling to observe a hydrogen transfer. And wouldlike to analyze our results by graphing the energy against the reacti
We are using umbrella sampling to observe a hydrogen transfer. And would
like to analyze our results by graphing the energy against the reaction
coordinates, in order to see the energy profile for the transition state.
Does the force constant from the umbrella sampling affect the output of
g_
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