Re: [gmx-users] Continuous mdrun vs step-by-step mdrun

2012-11-12 Thread Venkat Reddy
Hi Francesco, Thanks for ur reply and wishes. I couldn't remember exactly where I read this but what is your opinion on this discrete vs continuous runs ? On Mon, Nov 12, 2012 at 2:10 PM, francesco oteri wrote: > Hi, > happy diwali to you, too. > Can you please post a link where what you said is

Re: [gmx-users] Continuous mdrun vs step-by-step mdrun

2012-11-12 Thread francesco oteri
Hi, happy diwali to you, too. Can you please post a link where what you said is stated? it seems quite strange to me! 2012/11/12 Venkat Reddy > Dear gromacs users, > > I have a very basic doubt regarding mdrun. Is there any difference between > "doing final MD for 100 ns at a stretch" and "do

[gmx-users] Continuous mdrun vs step-by-step mdrun

2012-11-11 Thread Venkat Reddy
Dear gromacs users, I have a very basic doubt regarding mdrun. Is there any difference between "doing final MD for 100 ns at a stretch" and "doing the same with a 10 ns step size (*i.e., 10ns20ns30ns100ns*) " on a cluster of 256 processors. I have read some where that continuous M