Yang
From: Justin A. Lemkul [EMAIL PROTECTED]
Sent: Tuesday, November 11, 2008 1:38 PM
To: He, Yang; Gromacs Users' List
Subject: Re: [gmx-users] the temperature effect in the simulation
He, Yang wrote:
Hi Justin,
In my case, my box size is adequate to avoid interaction of periodic image
: He, Yang; Gromacs Users' List
Subject: Re: [gmx-users] the temperature effect in the simulation
He, Yang wrote:
Hi Justin,
My box size is 3.13690 3.73000 2.7 and I use the user-defined
potential functions.
Is that box size adequate to avoid interaction of periodic images of your
]
Sent: Tuesday, November 11, 2008 12:17 PM
To: Discussion list for GROMACS users
Subject: RE: [gmx-users] the temperature effect in the simulation
Do you have water ?
-Original Message-
From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Nicolas Sapay
Sent: 2008年11月12日 4:15
To
ing obviously wrong.
-Justin
Thank you.
Yang
From: [EMAIL PROTECTED] [EMAIL PROTECTED] On Behalf Of Justin A. Lemkul [EMAIL
PROTECTED]
Sent: Tuesday, November 11, 2008 12:12 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] the temperature effect in the simulation
IL PROTECTED] [EMAIL PROTECTED] On Behalf Of Justin A. Lemkul [EMAIL
PROTECTED]
Sent: Tuesday, November 11, 2008 12:12 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] the temperature effect in the simulation
He, Yang wrote:
> Hi all users,
>
> When I change the temper
Do you have water ?
-Original Message-
From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Nicolas Sapay
Sent: 2008年11月12日 4:15
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] the temperature effect in the simulation
He, Yang wrote:
> Hi all users,
>
&g
He, Yang wrote:
Hi all users,
When I change the temperature to try to get different disassociation about the
two DNA's strands. But even I change the value of temperature by 0K in the mdp
file ,
; OPTIONS FOR WEAK COUPLING ALGORITHMS
; Temperature coupling
Tcoupl = berendsen
He, Yang wrote:
Hi all users,
When I change the temperature to try to get different disassociation about the
two DNA's strands. But even I change the value of temperature by 0K in the mdp
file ,
; OPTIONS FOR WEAK COUPLING ALGORITHMS
; Temperature coupling
Tcoupl = berends
Hi all users,
When I change the temperature to try to get different disassociation about the
two DNA's strands. But even I change the value of temperature by 0K in the mdp
file ,
; OPTIONS FOR WEAK COUPLING ALGORITHMS
; Temperature coupling
Tcoupl = berendsen
; Groups to coupl
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