[gmx-users] mdrun in vacuum circumstance

Tue Dec 17 07:09:08 CET 2002

Hi,
  Can I optimize my molecule in vacuum circumstance? If so,how can I manage it?
  I did know optimize a molecule in hydration circumstance.If I do it in vacuum circumstance,I suppose that I needn't create a box with genbox.
  Would some one tell me how to do it?

Thanks.
Xianhui
______________________________________

===================================================================
ÐÂÀË15M¡°ÈÎÄãÓÊ¡±°Ù¼ÒÐÕÓÊÏäÃû¾¡ÏÔ¸öÐÔ (http://mail.sina.com.cn)
ÐÂÀË¶þÊÖÊÐ³¡£ºÒ»ÔªÍ¶Èë£¬Ê®·Ö¾ªÏ²£¬°Ù·ÖÂúÒâ (http://classad.sina.com.cn/2shou/)
ÊýÍòÕÅÊÖ»úÍ¼Æ¬ÊýÍòÊ×¶ÌÐÅÁåÉùÈÎÄãÌôÑ¡£¬Ã¿Ìì¶¼ÓÐ¸üÐÂ (http://sms.sina.com.cn/cgi-bin/sms/smspic.cgi)