Re: [gmx-users] g_msd and diffusion coefficent

2010-06-29 Thread Mark Abraham
- Original Message - From: leila karami karami.lei...@gmail.com Date: Tuesday, June 29, 2010 16:41 Subject: [gmx-users] g_msd and diffusion coefficent To: gmx-users@gromacs.org Hi gromacs users in my system, there are pr, dna, water and Na and I want to obtain diffusion of pr in

Re: [gmx-users] g_msd and diffusion coefficent

2010-06-29 Thread Mark Abraham
- Original Message - From: leila karami karami.lei...@gmail.com Date: Tuesday, June 29, 2010 17:32 Subject: [gmx-users] g_msd and diffusion coefficent To: gmx-users@gromacs.org Dear Mark Abraham yes. pr means protein. I want to obtain diffusion of protein within dna. I want to

Re: [gmx-users] g_msd and diffusion coefficent

2010-06-29 Thread Mark Abraham
- Original Message - From: leila karami karami.lei...@gmail.com Date: Tuesday, June 29, 2010 18:08 Subject: [gmx-users] g_msd and diffusion coefficent To: gmx-users@gromacs.org Dear Mark Abraham No, I want to measure something about the diffusion of my protein to DNA (especially to

Re: [gmx-users] g_msd and diffusion coefficent

2010-06-28 Thread Justin A. Lemkul
leila karami wrote: Hi gromacs users I did simulation of pr-dna by gromacs. I want to obtain diffusion coefficent of pr to dna. I raed manual (g_msd) in which there are diffusion coefficent only for 1 and 2 dimension as follows respectively : -type : Compute diffusion coefficient in one