[gmx-users] Re: Output for rmsd and radius of gyration doubts

2013-03-04 Thread Ewaru
Thank you so much, Justin! Yes, I will do so. :) Take care. Best wishes. -- View this message in context: http://gromacs.5086.n6.nabble.com/Output-for-rmsd-and-radius-of-gyration-doubts-tp5005881p5006087.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users

Re: [gmx-users] Re: Output for rmsd and radius of gyration doubts

2013-03-04 Thread Justin Lemkul
On 3/4/13 10:37 AM, Ewaru wrote: Hi Justin, Thank you for your prompt reply! As this is my first approach to molecular dynamics, I still have lots of to understand but I'm constantly reading and trying to work things out. I predicted 2 structures, one using Modeller, and another one with I-Tas

[gmx-users] Re: Output for rmsd and radius of gyration doubts

2013-03-04 Thread Ewaru
Hi Justin, Thank you for your prompt reply! As this is my first approach to molecular dynamics, I still have lots of to understand but I'm constantly reading and trying to work things out. I predicted 2 structures, one using Modeller, and another one with I-Tasser. I followed your very informative

Re: [gmx-users] Re: Output for rmsd and radius of gyration doubts

2013-03-04 Thread Justin Lemkul
On 3/4/13 9:49 AM, Ewaru wrote: Hi Justin, I tried running the simulation for 10ns and this time, my RMSD graph shows a stable fluctuation of 0.45nm from 2.5ns to 10ns. The radius of gyration shows stable fluctuation from 4ns to 10ns around 2.46nm. My doubt is, shouldn't the RMSD be fluctuatin

[gmx-users] Re: Output for rmsd and radius of gyration doubts

2013-03-04 Thread Ewaru
Hi Justin, I tried running the simulation for 10ns and this time, my RMSD graph shows a stable fluctuation of 0.45nm from 2.5ns to 10ns. The radius of gyration shows stable fluctuation from 4ns to 10ns around 2.46nm. My doubt is, shouldn't the RMSD be fluctuating at 0.1nm? Does it mean that my str

[gmx-users] Re: Output for rmsd and radius of gyration doubts

2013-02-25 Thread Ewaru
Dear Justin, Oh, no wonder. Thank you so much for your prompt reply! :) Best wishes. -- View this message in context: http://gromacs.5086.n6.nabble.com/Output-for-rmsd-and-radius-of-gyration-doubts-tp5005881p5005885.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. --