AW:

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Jul 17 2012 - 00:35:19 CDT

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Hi,

Of course you can simulate such things. But keep in mind that this is
classical molecular dynamics so there’s no possibility to simulate bond
breaking and creating. You will see the electrostatic and vdw interaction
between the proteins.

Do give you more detail, we will first need more detail on what you want to
do. Especially what nature the reaction/interaction is.

Norman

Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag
von ??
Gesendet: Montag, 16. Juli 2012 15:59
An: namd-l_at_ks.uiuc.edu
Betreff: namd-l:

Dear all,
          

          I have learnt NAMD tutorial on your Web. And now I am wondering if
I can use NAMD to simulate a system containing two or more protein, then
obtain the interaction or reaction between these proteins. If can, could
you tell me how to do it in details?

Thanks in advance!
Best regards,

shunzhong

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shun zhong
Graduate Student of Technical Institute of Physcis and Chemistry, CAS
Beijing, P.R.China, 100190
Web: htthttp://www.ipc.ac.cn/

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