[gmx-users] about COM pulling and g_dist

zhongjin zhongjin1000 at yahoo.com.cn
Tue Oct 5 03:55:11 CEST 2010

--- 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

-------------- next part --------------
A non-text attachment was scrubbed...
Name: Snap5.jpg
Type: image/pjpeg
Size: 16493 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101005/3c8a44c8/attachment.bin>

More information about the gromacs.org_gmx-users mailing list