[gmx-users] atom's charges for rtp file.

Wed Nov 20 08:41:26 CET 2002

Hi,gmx-users£¬

   I just want to create a rtp file for an ester. I do know how to get the atom type, mass, bonds, impropers etc.But there some troubles in determining charges about ervery atom? How can I manage it?

Thanks.
Best,
Xianhui Wu
¡¡¡¡
______________________________________

===================================================================
Ãâ·ÑÊÔÓÃÐÂÀË15MÊÕ·ÑÓÊÏä ¸Ï½ôÐÐ¶¯£¡ (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/)
ÊýÍòÕÅÊÖ»úÍ¼Æ¬ÊýÍòÊ×¶ÌÐÅÁåÉùÈÎÄãÌôÑ¡£¬Ã¿Ìì¶¼ÓÐ¸üÐÂ (http://sms.sina.com.cn/cgi-bin/sms/smspic.cgi)