And one trivial coin from me...
Not only the random seed for the initial velocity distribution must be
altered, but it is also very good to start from a significantly
different set of coordinates.
Dr. Vitaly V. Chaban
Виталий Витальевич ЧАБАН
On Sat, Oct 4, 2014 at 11:15 PM, fatemeh ramezani
Some care must be taken with the use of the term "replica", due to the
amount of replica-exchange schemes around. The "replicate simulations"
being talked about here do not imply exchange schemes and different
hamiltonians. Just to make things clearer.
João
On Sun, Oct 5, 2014 at 4:15 PM, massimo
On 5 Oct 2014 04:18, "Justin Lemkul" wrote:
>
>
>
> On 10/4/14 5:15 PM, fatemeh ramezani wrote:
>>
>> Dear gmx-users
>>
>> I performed a MD simulation with gromacs software and after sending my
results to a journal, referee said
>>
>> "Simulations needs to
>> be repeated with different initial vel
On 10/4/14 5:15 PM, fatemeh ramezani wrote:
Dear gmx-users
I performed a MD simulation with gromacs software and after sending my results
to a journal, referee said
"Simulations needs to
be repeated with different initial velocity (seed) to make sure that the
results are not simulation artif
Dear gmx-users
I performed a MD simulation with gromacs software and after sending my results
to a journal, referee said
"Simulations needs to
be repeated with different initial velocity (seed) to make sure that the
results are not simulation artifacts.It is needed to ensure that the simulation
