Hi 陈金峰,
If you are simulating a single chain protein simulation, autoimage is the
way to go. Please check the manual regarding this.
Cheers,
El vie., 15 jun. 2018 a las 16:01, 陈金峰 (<201612095.mail.sdu.edu.cn>)
escribió:
>
> Dear amber users:
> I have completed a simple simulation, but the protein get out the box
> in the
> trajectory output file.
> I have tried to use the center command in the cpptraj:
> center :1-129
> or
> center :1-129 origin
> image origin center familiar
> But neither of them worked, I just want to get a trajectory that all
> atoms
> in one box unit. How can i achieve that?
> Any suggestion would be appreciated
> Thank you.
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>
--
Stephan Schott Verdugo
Biochemist
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
Germany
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Received on Fri Jun 15 2018 - 08:30:02 PDT
