On Tue, 22 Feb 2005 18:38:43 +0900, Mayumi Haga <haga.cir.tohoku.ac.jp>
wrote:
> I tried to remove waters and
> Na+.
>
> one input file is
> *************************************************************
> trajin md2.mdcrd
> rms first out protein_change_first2.rms time 10
> strip :WAT
> strip :Na+
> *************************************************************
You need to remove waters and Na+ ions before doing rms fitting
*************
trajin md2.mdcrd
strip :WAT,Na+
rms first out protein_change_first2.rms time 10
*************
Hope this helps!
Best Regards!
Liu
--
JunJun Liu
College of Chemistry
Central China Normal University
WuHan 430079
P.R. China
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Received on Tue Feb 22 2005 - 10:53:00 PST
