[gmx-users] Re: REMD analysis

[bharat gupta]

I checked the first 5 md.log files, and the data is exactly the same in all
of them .... Does it mean there could be problem with demux.pl


On Thu, May 23, 2013 at 3:53 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

> Look at those files. Use diff. They're all the same. Your plots are
> probably all showing the first column of each. You want to look at each
> column. (And even then the best it can show is that your simulation is not
> clearly inadequate.)
>
> Mark
>
>
> On Thu, May 23, 2013 at 8:48 AM, bharat gupta <bharat.85.monu at gmail.com
> >wrote:
>
> > Dear Sir,
> >
> > Thank you for your reply. But I used the command demux.pl md$.log ,
> where
> > $= No. of replica. I get the same plot every time. Sorry to ask this ,
> but
> > where am I going wrong ??
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