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Hi Ben,
I have added the ligand in the side chain model,but the torsion of a H
atom of the ligand is located the wrong place,I have taken n times to try to
solve this problem,but I failed finally.I have uploaded the XML file of the
ligand and the pdb of the side chain model to the attachment,please help
me,thank you.
Best Regard
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>
主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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
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