Re: [gmx-users] remd analysis

2013-06-25 Thread Mark Abraham
There's number of analysis tools briefly described in chapter 8 of the manual, and lots more detail in Appendix D. Have a look at what is there, and do your background reading of the literature to see the kinds of things people have done before you. Mark On Tue, Jun 25, 2013 at 1:18 PM, Shine A

Re: [gmx-users] REMD analysis

2013-05-16 Thread bharat gupta
Okay, now I can start with large production runs . On Thu, May 16, 2013 at 11:10 PM, XAvier Periole wrote: > > Indeed the Repeat-3 seems good. But I would guess you did not run too > long, right! That would explain the distribution of values! > > On May 16, 2013, at 2:04 PM, bharat gupta > wro

Re: [gmx-users] REMD analysis

2013-05-16 Thread XAvier Periole
Indeed the Repeat-3 seems good. But I would guess you did not run too long, right! That would explain the distribution of values! On May 16, 2013, at 2:04 PM, bharat gupta wrote: > Dear Sir, > > Here's the result of three different runs : > > Temperature distribution for three trials > > Re