AMBER Archive (2006)

Subject: 回复： Re: AMBER: the problem of mdcrd

From: xiphias xie (xiphiasxp_at_yahoo.com.cn)
Date: Mon Jan 16 2006 - 20:23:00 CST

--- Vlad Cojocaru
<Vlad.Cojocaru_at_eml-r.villa-bosch.de>写道:

> what I don't really understand from your script is
> why the initial
> temperature (tempi) is 356 while the temperature
> that you want to keep
> your system (temp0)is 300 ....
>
> vlad
>
thanks for your attention .
tempi 356 is the reaction temperature.
temp0 300 is the crystallizing temperature.
I am not sure it is acceptable by this way .
All the best !
                          xiphias

        

        
                
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