check there:
https://www.mail-archive.com/gromacs.org_gmx-users@maillist.sys.kth.se/
On Mon, Nov 18, 2019 at 11:29 PM Ling Chan wrote:
> Dear colleagues,
>
> Just wonder how can I search past discussions for keywords in this mailing
> list? I tried the search box on the top left of the Gromacs
I'm building gromacs 2019.4 in the following environment.
OS: Windows 10CPU: Intel (R) Xeon Silver 4116 x 2pcsGPU: RTX 2080 SUPERMemory:
32GBCUDA: v10.1VS 2017fftw-3.3.8
The following error is output twice in regressiontests-2019.4.Does anyone know
how to solve it?
> sh: line 1:
https://www.google.com/search?q=site%3Ahttps%3A%2F%2Fmailman-1.sys.kth.se%2Fpipermail%2Fgromacs.org_gmx-users%2F%20keyword
Catch ya,
Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
Dear colleagues,
Just wonder how can I search past discussions for keywords in this mailing
list? I tried the search box on the top left of the Gromacs home page, but it
does not seem to work. (Just try some keywords from the title of a discussion.)
I may be missing something obvious …
Ling
Dear all,
The surface area (calculated by gmx sasa) of a droplet of a molecule,
reduces during temperature quenching, I wonder if anybody has an idea to
explain that by calculation a meaningful quantity of the droplet?
Thank you
Alex
--
Gromacs Users mailing list
* Please search the archive at
The micelle contains all the SDS molecules in the system and it's super
simple at this point because you are right, the SDS molecules is a
default group.
I thought I should have specified more details.
Ok thanks a lot.
Best,
Giuseppe
Il 2019-11-18 18:14 Justin Lemkul ha scritto:
On
On 11/18/19 12:13 PM, Giuseppe R Del Sorbo wrote:
Dear Justin,
I want to make an index for the micelle, made od 60 molecules of SDS.
So, if I understand correctly, the SDS micelle does not contain all of
the SDS molecules in the system? That was not clear in your original
email. If
Dear Justin,
I want to make an index for the micelle, made od 60 molecules of SDS.
Thanks for the email.
Best,
Giuseppe
Il 2019-11-18 18:09 Justin Lemkul ha scritto:
On 11/18/19 11:43 AM, Giuseppe R Del Sorbo wrote:
Dear all,
In my simulation I have a lysine + micelle of SDS.
In the
On 11/18/19 11:43 AM, Giuseppe R Del Sorbo wrote:
Dear all,
In my simulation I have a lysine + micelle of SDS.
In the analysis, I want to find the spherical radial distribution
functions of methyl groups around the center of mass of the micelle.
I Know how to make the index for the
make_ndx.
l
.
ri (residue nmbr of the sds given after parsing l)
.
Done
On Mon, 18 Nov 2019, 10:13 pm Giuseppe R Del Sorbo,
wrote:
> Dear all,
>
> In my simulation I have a lysine + micelle of SDS.
>
> In the analysis, I want to find the spherical radial distribution
>
Dear all,
In my simulation I have a lysine + micelle of SDS.
In the analysis, I want to find the spherical radial distribution
functions of methyl groups around the center of mass of the micelle.
I Know how to make the index for the methyl group, but how can I make an
index for the micelle?
On 11/18/19 12:12 AM, Mijiddorj B wrote:
Dear Justin,
Thank you very much for your reply.
I prepared 3 residues including a middle and two end units for charmm27. I
also used the swissparam for their atom type and the partial charges. Now,
Gmx pdb2gmx is working fine with the residues. Is it
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