Dear GMX users,
I am using pull code to make a distance restrain to my proteins and
membrane,which looks like this:
pull = umbrella
pull_geometry= cylinder
pull_vec1 = 0 0 1
pull_r1 = 2.5
pull_r0 = 2.5
pull_dim =
Dear GMX users,
I am using pull code to make a distance restrain to my proteins and
membrane,which looks like this:
pull = umbrella
pull_geometry= cylinder
pull_vec1 = 0 0 1
pull_r1 = 2.5
pull_r0 = 2.5
pull_dim =
gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] On Behalf
> Of Justin A. Lemkul [jalem...@vt.edu]
> Sent: Monday, September 26, 2011 1:32 PM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] Center of mass: distance restrain for groups
>
> Justin A
it this keyword.
-Justin
Best,
Hualin
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] On Behalf
Of Justin A. Lemkul [jalem...@vt.edu]
Sent: Monday, September 26, 2011 1:32 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Center of ma
[gmx-users-boun...@gromacs.org] On Behalf
Of Justin A. Lemkul [jalem...@vt.edu]
Sent: Monday, September 26, 2011 1:32 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Center of mass: distance restrain for groups
Justin A. Lemkul wrote:
>
>
> Li, Hualin wrote:
>> I a
Justin A. Lemkul wrote:
Li, Hualin wrote:
I am sorry about the last post, I mean "I am not sure about the word
"pullumbrella", is this command used in free energy
calculation to do the sampling ? I am not doing the free energy
calculation, should I change something in the
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] On Behalf
Of Justin A. Lemkul [jalem...@vt.edu]
Sent: Monday, September 26, 2011 12:05 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Center of mass: distance restrain for groups
Li, Hualin wrote:
Dear G
Thanks,
Hualin
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] On Behalf
Of Justin A. Lemkul [jalem...@vt.edu]
Sent: Monday, September 26, 2011 12:05 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Center of mass: distan
ase?
Thanks,
Hualin
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] On Behalf
Of Justin A. Lemkul [jalem...@vt.edu]
Sent: Monday, September 26, 2011 12:05 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Center of mass: distance restrain for groups
Li, Hual
Li, Hualin wrote:
Dear GMX users,
How are you doing? I have a question about using distance restrain in
GROMACS, have you ever use the distance restrain to between the protein and the
center of mass of membrane. In gromacs, I can not find the option to choose the
center of mass of speci
Dear GMX users,
How are you doing? I have a question about using distance restrain in
GROMACS, have you ever use the distance restrain to between the protein and the
center of mass of membrane. In gromacs, I can not find the option to choose the
center of mass of specific groups like membra
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