[gmx-users] How to obtain structures with large RMSD?

KS Rotondi ksr at chemistry.umass.edu
Mon Oct 10 19:22:00 CEST 2011

you either

A) Have not been sampling long enough


B) Just might have your answer...

On Oct 10, 2011, at 11:46 AM, Liu, Liang wrote:

> Well, the thing is even I turn off the position restraint and raise  
> the temperature to 600k, the RMSD I can obtained is only about 0.3  
> for a RNA hairpin. --
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