[gmx-users] PRODRG don't add hydrogen to sulphonate?
freda
xbcd at eyou.com
Thu Jun 10 16:41:47 CEST 2004
hi
I am a graduate student in Zhe Jiang university.
I use the PRODRG to convert a small molecular contained the sulphonic acid,
but
the PRODRG won't add the hydrogen to the oxgen of sulphnate group, even if I
add the hydrogen to the oxgen,the PRODRG will delete it.
I want to know the reason and expect somebody can help me solve this
problem
tanks
--http://www.eyou.com
--Îȶ¨¿É¿¿µÄµç×ÓÐÅÏä ÓïÒôÓʼþ Òƶ¯ÊéÇ© ÈÕÀú·þÎñ ÍøÂç´æ´¢...ÒÚÓÊδ¾¡
--http://vip.eyou.com
--¿ì¿ìµÇ¼ÒÚÓÊVIPÐÅÏä ×¢²áÄúÖÐÒâµÄÓû§Ãû
More information about the gromacs.org_gmx-users
mailing list