[gmx-users] about COM pulling and g_dist

[zhongjin]

--- 10年10月5日，周二, zhongjin <zhongjin1000 at yahoo.com.cn> 写道：

> 发件人: zhongjin <zhongjin1000 at yahoo.com.cn>
> 主题: about COM pulling and g_dist
> 收件人: gmx-users at gromacs.org
> 日期: 2010年10月5日,周二,上午9:51
> Dear Chris,
>   I use g_wham to calculate PMF.g_wham -if
> pullf-files.dat -it tpr-files.dat -b 500 -unit kT -temp 300
> -o -hist 
>    g_dist -f pull.xtc -s pull.tpr -n
> index.ndx -o dist.xvg,first I select the  reference
> group,then pull group.Snap7.jpg shows distance in one
> umbrella sampling window.
> Zhongjin He
>     
> 
> 
>      


      
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