Dear Gromacs users
I am a M.Sc student at Sharif university in field of mechanical
engineering. for my M.Sc thesis I'm using GROMACS and for a part of it, I
need to use NEMD. I searched Internet but unfortunately found nothing
related to gromacs ( I mean Example, article and ...). So could anyone p
Dear Mark,
Thanks for your response. actually I did it by posting question with the
subject " Relaxation Test " but unfortunately nobody gave me any kind of
feedback. so could you please that question to see if you can help me?
thanks in advance.
==
Ali khourshaei shargh (khourshae
Hi,
That's a pretty open-ended inquiry. You might find more people if you
narrow it down a bit.
Mark
On Fri, May 27, 2016 at 4:23 PM wrote:
> Dear Gromacs users
> I am a M.Sc student at Sharif university in field of mechanical
> engineering. for my M.Sc thesis I'm using GROMACS and for a part
Dear Sir,
I'm trying to mimic osmotic pressure condition on a membrane
protein in gromacs by applying constant force (through constant
accelearation) on group of water molecules in z-direction in the simulation
box through Non-equilibrium MD option in mdp file. I have following
question
I am simulating a protein using gromacs 5.0.2 and want to apply time
varying pressure (preferably sine wave) on it. How should I do it in NEMD?
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On 20/07/17 23:53, Aarushi Bhargava wrote:
I am simulating a protein using gromacs 5.0.2 and want to apply time
varying pressure (preferably sine wave) on it. How should I do it in NEMD?
You would have to code to implement a varying pressure of any sort, but
please think about what kind of phys
Hi David,
Thanks for the quick response. I am looking for a pressure wave in air with
a frequency in GHz. I am looking to see the mechanical behavior of
proteins. By implementing a code, do you mean implementing an external
script (such as a code written in python) and then embedding it into the
c