--- 10年10月5日，周二, zhongjin <zhongjin1...@yahoo.com.cn> 写道：
> 发件人: zhongjin <zhongjin1...@yahoo.com.cn>
> 主题: about COM pulling and g_dist
> 收件人: gmx-users@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
>
>
>
>
<<attachment: Snap5.jpg>>
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
