Re: [AMBER] why no periodic information?

From: Albert <mailmd2011.gmail.com>
Date: Tue, 19 Mar 2013 15:48:29 +0100

Hello Kshatresh:

thanks a lot for kind reply.
It still doesn't work even I take your advices.

However, if I use command:

ptraj sys.prmtop ptrja.in

--ptrja.in-----
trajin npt2.trj 4742
trajout npt2.crd parm
-------------

extract information from trajectory, and load npt.crd and sys.prmtop
into VMD, then it works fine. I don't know why the PBC doesn't work when
I load the .rst7 file into vmd....


best
Albert


On 03/19/2013 03:21 PM, Kshatresh Dutta Dubey wrote:
> Hi.
>
> Use following if you are not doing this in vmd
>
> open tk console of vmd and type
>
> *package require pbctools*
> *pbc box*
>
> it will work
>
> Regards
> Kshatresh

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Received on Tue Mar 19 2013 - 08:00:05 PDT
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