Re: [AMBER] rmsd problem

From: <luzhenw1.msu.edu>
Date: Tue, 12 Jan 2010 10:45:21 -0500

Thanks. That's exactly what I have done. After increasing temprature with restraint on solute and slowly release the restraint.

Quoting Bill Ross <ross.cgl.ucsf.edu>:

>> Thanks for the suggestion. It is possible that water and ions cause the dif
>> ferent behavior. I will check their postion to make sure.
>
> To minimize artifacts in this effect, it could help to keep the solute fixed
> while allowing water and ions to equilibrate.
>
> Bill
>
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Received on Tue Jan 12 2010 - 08:30:03 PST
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