From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Thu Jun 13 2013 - 02:56:44 CDT
Hi,
You can easily set this up in the Collective Variables module, as a moving harmonic restraint acting on three distance variables.
Cheers,
Jerome
----- Original Message -----
>
>
> Dir VMD users,
>
> I want to do SMD on a protein which have three chains. I wish to set
> the three C-terminal atoms as fixed atoms and the three N-terminal
> atoms as smd atoms, and pull the smd atoms in directions from the
> C-terminal to N-terminal of each chain seperately. Do I have to do
> the SMD procedure three times, each time for a single chain? I wish
> to pull the three smd atoms simultaneously but don't know how to do
> this. Could you give me the answers?
>
> Yeping Sun
> CAS Key Laboratory of Pathogenic Microbiology & Immunology
> INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES
> NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china
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