Respected Sir
I am trying to prepare a minimization input file (.tpr) for a system having
153216 atoms but the grompp command is reading only upto 9 atoms. What
is the procedure to prepare the input for such system?
Regards
Anuj
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Respected Sir
I am trying to prepare a minimization input file (.tpr) for a system having
153216 atoms but the grompp command is reading only upto 9 atoms. What
is the procedure to prepare the input for such system?
Regards
Anuj
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Gromacs Users mailing list
* Please search the archive at
Dear All,
I have attached a chromophore with a protein by covalent
bond and performed exchanged bias metadynamics simulations using gromacs. I
want to calculate the auto-correlation function of transition dipole moment
of chromophore and average density of chromophore around
The official release of GROMACS 2019 is now available.
What new things can you expect? Please see the release notes highlights at
http://manual.gromacs.org/2019/release-notes/index.html.
You can find the code, manual, release notes, installation instructions and
test suite at the links below.
Dear researcher
I want to check the effect of an SNP (Single-nucleotide polymorphism) in my
protein structure. To do this, I once simulated a protein in the Wild Type
state and once again mutated for 100 nanoseconds.
After performing the MD, The defect of many articles I have read in
if i want to store 10-15 ns .xtc file in a different .xtc file then
what should i do.
thanking you
On 12/27/18, SHAHEE ISLAM wrote:
> thank you so much.
>
> On 12/27/18, sp...@iacs.res.in wrote:
>> - Message from SHAHEE ISLAM -
>> Date: Thu, 27 Dec 2018 16:52:17 +0530
>>
