Dear Emilio,
Thanks for your reply.
I shall give it a try by adding another region under the first region.
Best regards,
Li Zhe
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On Fri, Oct 09, 2015 at 8:42 pm, Emilio Lence <guitarro.de.meixente.gmail.com<mailto:guitarro.de.meixente.gmail.com>> wrote:
If I remember correctly you can add a second (or more) line with the other
region to use. I do not thing there should be a problem because they are
far from each other, as you are doing a minimization and the relative
position between them is not going to change.
2015-10-09 14:23 GMT+02:00 Wong Li Zhe <Wong.LiZhe.student.imu.edu.my>:
> Dear all,
>
> I would like to conduct a minimization on a protein model.
> Before that, I would need to restraint the residues.
> It is however, from tutorial B1 (section 5.1.3), the residues being
> restrained is only 1 to 20.
> In my case, I have 2 regions which I would like to restrain them but they
> are far apart (region A: 373-424) (region B: 610-1198).
> How should I write that in the 'mdin' script?
> Is it possible to do so? Or I would need to pick only 1 region?
> And if that is the case, how should I decide on which region is the 'best'
> to be restraint?
>
> Thank you in advance!
>
> Best regards,
> Li Zhe
>
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>
>
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--
Dr. Emilio Lence Quintana
Organic Chemistry Department-CIQUS
University of Santiago de Compostela
15782 Santiago de Compostela, Spain
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Received on Fri Oct 09 2015 - 06:00:08 PDT
