Re: clustering of trajectory

From: Jun Zhang (coolrainbow_at_yahoo.cn)
Date: Tue Jul 05 2011 - 20:18:16 CDT

• Next message: bharat gupta: "Re: Re: Protein moving out of box during npt simulation"
• Previous message: Ajasja Ljubetič: "Re: membrane simulation ERROR rattle algorithm"
• In reply to: Bala subramanian: "clustering of trajectory"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear Bala:   I don't know whether there are related tools for NAMD specifically, but you can transform the trajectories into the formats recognizable by GROMACS, who has a tool for clustering analysis. ---------------------------------------------------------------- Jun Zhang (coolrainbow_at_yahoo.ch) Computational Chemistry Group No.94, Weijinlu Nankai University Tianjin, China   发件人： Bala subramanian <bala.biophysics_at_gmail.com> 收件人： namd-l_at_ks.uiuc.edu 发送日期： 2011年7月5日, 星期二, 下午 10:46 主题: namd-l: clustering of trajectory Friends, Someone please suggest me any tool to cluster conformations based on dihedral angle. Thanks, Bala

• Next message: bharat gupta: "Re: Re: Protein moving out of box during npt simulation"
• Previous message: Ajasja Ljubetič: "Re: membrane simulation ERROR rattle algorithm"
• In reply to: Bala subramanian: "clustering of trajectory"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:25 CST