Re: [AMBER] cpptraj rms fit to rst file

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Tue, 3 May 2016 23:23:02 -0700

Solved - I had assumed reference is implicit since no id's are used.
Also had forgotten I was piping the verbose output to /dev/null in my
script.

This works:

reference cat_min.rst
trajin restrt
rms :2.N1,C2,N3,C4,C5,C6,N7,C8 reference
trajout restrt_rms.crd

Bill

On 5/3/16 9:22 PM, Bill Ross wrote:
> Is this right? I am not seeing actual fitting going on, as determined by
> loading resulting pdb's sequentially in VMD and NGL, although the
> coodinates are transformed. My 3-base molecule is flapping a lot, and I
> want to fix it on the central base.
>
> Thanks,
>
> Bill
>
> ---
>
> parm cat.top
> trajin restrt
> reference cat_min.rst
>
> rms :2
>
> trajout restrt_rms.pdb
>
> run
>
> ---
>
>
>
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Received on Tue May 03 2016 - 23:30:05 PDT
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