AMBER Archive (2008)

Subject: Re: AMBER: all & united atoms force field

From: fatima.chami_at_durham.ac.uk
Date: Fri Aug 22 2008 - 08:31:34 CDT

Quoting cgji <cgji_at_itcc.nju.edu.cn>:

> hi,
>
> for all-atom force field ,you may try leaprc.ff99SB or leaprc.ff03
> for united-atom model ,you may try leaprc.ff03ua.

Thanks for your reply
I already know about this...
what I dont know is to specify in leap the group of atoms that are to be
unified and those that are not ....in this way both force field are used
simultaneously

I am not sure if this can be right to do

best wishes
Fa
>
>
>
>
> Best Wishes,
> 2008-08-22
>
>
>
> cgji
>
>
>
> 发件人： fatima.chami
> 发送时间： 2008-08-22 06:07:11
> 收件人： amber
> 抄送：
> 主题： AMBER: all & united atoms force field
>
> Hello all,
> For a very large system i want to use both all and united atoms force field
> on
> different parts of the system
> is this possible in Amber (9 or 10)
> best wishes
> Fatima
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