[gmx-users] some puzzles about energy minimizition

Tue Dec 31 02:10:52 CET 2002

Dear gmx-users,
  I have done some energy minimizition of different comformations of a molecule.Some of them can  be minimized,some of them have some problems: 

Steepest Descents did not converge in 714 steps
Potential Energy  = -4.38169e+02
Maximum force:  3.20897e+01
nodetime = 0! Infinite Giga flopses!¡¡¡¡

Would you please tell me what the meaning of the last line is? 

Best wishes,
Xianhui Wu¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡
______________________________________

===================================================================
Ãâ·ÑÊÔÓÃÐÂÀË15MÈÎÄãÓÊ »ñÊýÂëÏà»ú¡¢ÊÖ»ú´ó½± (http://vip.sina.com/sol_mail/promotion/pro_men.html)
ÐÂÀË¶þÊÖÊÐ³¡£ºÒ»ÔªÍ¶Èë£¬Ê®·Ö¾ªÏ²£¬°Ù·ÖÂúÒâ (http://classad.sina.com.cn/2shou/)
Ã¿Ìì1²¿ÊÖ»ú£¡çÍ·×ÐÂÄê¶ÌÐÅ×¨Ìâ (http://sms.sina.com.cn/act/beautyxmas.html)