, Feb 23, 2017 at 8:08 AM, Piggot T.
>>>>>> wrote:
>>>>>>
>>>>>> Hi,
>>>>>>>
>>>>>>> I don't believe this Chau paper is for deuterium order parameters
>>>>>>> (as I
>>>>>>>
rameters and you can find more
>>>>>> details
>>>>>> in the papers referenced therein (e.g. the Douliez et al. and the
>>>>>> Seelig et
>>>>>> al. papers in particular).
>>>>>>
>>>>>> For unite
performed in gmx order using the "SCD = (2/3) Sxx + (1/3) Syy"
>>>>> equation
>>>>> (which is nicely derived in the 1998 Douliez paper:
>>>>> http://aip.scitation.org/doi/pdf/10.1063/1.476823) . The calculation
>>>>> requires an a
llist.sys.kth.se] on behalf of Justin
Lemkul [jalem...@vt.edu]
Sent: 23 February 2017 12:16
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Order Parameter for HII phase
On 2/22/17 9:51 PM, Mohsen Ramezanpour wrote:
Dear Gromacs users,
Unfortunately, I did not get any reply on this post.
...@maillist.sys.kth.se [
gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin
Lemkul [jalem...@vt.edu]
Sent: 23 February 2017 12:16
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Order Parameter for HII phase
On 2/22/17 9:51 PM, Mohsen Ramezanpour wrote:
Dear Gromacs users
gt;
>> Cheers
>>
>> Tom
>>
>> ________
>> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [
>> gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin
>> Lemkul [jalem...@vt.edu]
>> Sent: 23
t; molecular frame.
>
> Cheers
>
> Tom
>
>
> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin
> Lemkul [jalem...@vt.edu]
> Sent: 23 February 2017 12:16
> To
s.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin Lemkul
[jalem...@vt.edu]
Sent: 23 February 2017 12:16
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Order Parameter for HII phase
On 2/22/17 9:51 PM, Mohsen Ramezanpour wrote:
> Dear Gromacs users,
>
> Unfortunately, I did not get any
On 2/22/17 9:51 PM, Mohsen Ramezanpour wrote:
Dear Gromacs users,
Unfortunately, I did not get any reply on this post.
I was wondering if anyone is aware of the original paper on g_order so that
I can understand the underlying algorithm of the options?
I am not sure how to use it for HII phas
Dear Gromacs users,
Unfortunately, I did not get any reply on this post.
I was wondering if anyone is aware of the original paper on g_order so that
I can understand the underlying algorithm of the options?
I am not sure how to use it for HII phase order parameters.
I found this article but I am
Dear Gromacs users,
I am interested in calculation of order parameter of lipids in a HII phase.
I am not sure about the correct command to use. Which one of the following
should I use to be able to compare my data with deutirated NMR experiments?
1) gmx order -f md.xtc -n index.ndx -s md.t
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