Hi,
Why not use 4 'vector' commands? Unless I'm not understanding what you
want to do.
-Dan
On Thu, Mar 3, 2016 at 12:49 PM, Hirdesh Kumar <hirdesh.iitd.gmail.com> wrote:
> Hi,
>
> Currently I am using vector command to save center of mass of one of the
> sub-domain as:
>
> *vector S1 center :1-27,65-139.CA,C,N,O trajout S1.mdcrd parmout
> vector.prmtop out rt-vector*
>
> But, my protein of interest consists 4 sub-domains and I need center of
> mass of each subdomain..
>
> How can generate pseudo trajectories (and prmtop file) of all four COMs??
>
> Thanks,
> Hirdesh
> **
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Thu Mar 03 2016 - 12:00:05 PST
