ssage: 3
Date: Wed, 21 Sep 2016 15:08:23 -0400
From: Justin Lemkul https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users>>
To: gmx-users at
gromacs.org<https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users>
Subject: Re: [gmx-users] D- &/or L- cmap for charm
gt; Date: Wed, 21 Sep 2016 15:08:23 -0400
> From: Justin Lemkul vt.edu<https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users>>
> To: gmx-users at
> gromacs.org<https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users>
> Subject: Re: [gmx-us
Trobe Institute for Molecular Science,
La Trobe University, Victoria 3086, Australia
Tel: 0432901627
Message: 3
Date: Wed, 21 Sep 2016 15:08:23 -0400
From: Justin Lemkul
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] D- &/or L- cmap for charmm36
Message-ID: <5156078a-2572-401b-ec29-6
Message: 3
Date: Wed, 21 Sep 2016 15:08:23 -0400
From: Justin Lemkul
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] D- &/or L- cmap for charmm36
Message-ID: <5156078a-2572-401b-ec29-62dd5ae8b...@vt.edu>
Content-Type: text/plain; charset=windows-1252; format=flowed
On 9/21/16 1:4
On 9/21/16 1:43 AM, HENRY WITTLER wrote:
Greetings.
If anyone can give insight please.
I want to do a MD for insulin a 51aa protein, mutating one residue from L to
D-Ser.
I have runned 1.5us for the L- Ser (with cmap), and want to repeat it for the
D-Ser, with gmx v.5.0.4 charmm36 mars14
Greetings.
If anyone can give insight please.
I want to do a MD for insulin a 51aa protein, mutating one residue from L to
D-Ser.
I have runned 1.5us for the L- Ser (with cmap), and want to repeat it for the
D-Ser, with gmx v.5.0.4 charmm36 mars14 version.
It seems in the traditional CHARM
