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

2017-07-21 Thread Aarushi Bhargava
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

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

2017-07-21 Thread David van der Spoel
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

[gmx-users] NEMD with sinusoidal pressure variation

2017-07-20 Thread Aarushi Bhargava
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?