RE: Restartname

From: Boyang Wang (pkuwangboyang_at_yahoo.com.cn)
Date: Thu May 05 2005 - 21:52:36 CDT

Yes, it helps. I saved the output in binary file bcz it seems that only binary file works well in our cluster.
    Thanks.
Boyang.

Michel Espinoza-Fonseca <mef_at_ddt.biochem.umn.edu> 写道:
v\:* {behavior:url(#default#VML);}o\:* {behavior:url(#default#VML);}w\:* {behavior:url(#default#VML);}.shape {behavior:url(#default#VML);}
You have to specify restartname if you want to create restart files of your subsequent simulations. If you’re restarting your simulation using restart files, you have to specify “coordinates”, “velocities” and “extendedSystem” (if you’re saving your restart files in binary format, you have to write “bincoordinates” and “binvelocities”, instead of “coordinates” and “velocities”… the extended system file is written in plain text)

 

Hope it helps,

Peace,

Michel

 

---------------------------------

From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of Boyang Wang
Sent: Thursday, May 05, 2005 7:19 PM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: Restartname

 

Hi all. Do I have to specify the "restartname" if I restart namd from previously saved output.coor and output.vel files?

      Thanks.

Boyang

 

---------------------------------

Do You Yahoo!?
150万曲MP3疯狂搜,带您闯入音乐殿堂
美女明星应有尽有,搜遍美图、艳图和酷图
1G就是1000兆,雅虎电邮自助扩容!

---------------------------------
Do You Yahoo!?
150万曲MP3疯狂搜,带您闯入音乐殿堂
美女明星应有尽有,搜遍美图、艳图和酷图
1G就是1000兆,雅虎电邮自助扩容!

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:18:45 CST