Re: [gmx-users] NEMD with sinusoidal pressure variation

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

Re: [gmx-users] NEMD with sinusoidal pressure variation

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

[gmx-users] NEMD with sinusoidal pressure variation

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? -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post?

[gmx-users] NEMD of membrane protein

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

[gmx-users] NEMD

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

Re: [gmx-users] NEMD

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

[gmx-users] NEMD

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