Re: [AMBER] How MCPB add ligand with a small moleculein*_siderchain.bcl

From: JiYuan Liu <liujiyuan.nwsuaf.edu.cn>
Date: Wed, 23 Nov 2011 12:24:26 +0800

   Hi Ben,
         I am very sorry for sending the list at these moment,this is my first
   time to send the maillist,please pardon me,I will try my best to do this by
   right method.

                                                                      Best
   Regards


                                                                        JiYuan
   -------- åå§é®ä»¶ --------
   å件人: Ben Roberts <ben.roberts.geek.nz>
   åéæ¶é´: 2011-11-23 12:11
   æ¶ä»¶äºº: AMBER Mailing List <amber.ambermd.org>
   ä¸»ãé¢: Re:Re: [AMBER] How MCPB add ligand with a small
   moleculein*_siderchain.bcl
   Hi JiYuan,
   On 22/11/2011, at 9:54 AM, JiYuan Liu wrote:
> I have produced the XML file for the ligand of small molecule,you
   could
> have a look in my attachment.
   No, I can't validate your input for you.
> How can I use the ca.XML within bcl scripts,would you like to tell me
   the
> detail procedure,thank you very much.
   See my earlier response. Unfortunately, that answer was off-list, because I
   hit Reply. This is one reason why I encourage you to send your email solely
   to the list; replies to the list are available for future users to consult,
   and if you email only the list, replies automatically get sent to the list
   as well. If you email the list as well as individual recipients, replies
   automatically go to you directly, and no-one else can see them or benefit
   from our answers to your questions.
   Regards,
   Ben
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Received on Tue Nov 22 2011 - 20:30:06 PST
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