Re: [gmx-users] Initial velocity

Please thanks so much for your support but I still do not get what all you are talking about is On 13 May 2013 11:44, Justin Lemkul wrote: > > > On 5/13/13 1:48 AM, Acoot Brett wrote: > >> Dear All, >> >> Will you please explain how the initial velocity may affect the MD >> results? >> > >

Re: [gmx-users] Initial velocity

Thanks so much for your support, The point is that, I have this mathematical theory on coarse grain simulation for which is supposed to resolve the potential existing between atoms suspended by an angle theta(like the triangle share for two atoms). To solve for the potential, the theta between thes

[gmx-users] MODIFYING GROMACS' bondfree.c

Please I am a beginner in GROMACS simulation and happens to be doing my undergraduate final year project on molecular dynamics simulation. I am working on the use of the martini model in simulation for coarse grain sugar. I have to modify the bondfree.c file to supply coordinates of the atoms, mixi