Hi,
On Mon, Feb 22, 2016 at 11:41 AM, Balaji Selvam <bselvam01.gmail.com> wrote:
> strip :PTR&!(25781-25784) (something like this and atom number 25781 to
> 25784 corresponds to phosphate group)
This is not a valid atom mask (looks like you may be missing an '.'
character). Also, remember that for 'strip' the mask corresponds to
the atoms you want removed. So if all you want to do is remove atoms
25781-25784 just specify:
strip .25781-25784
-Dan
>
> However, the command does not remove any atoms and mentioning only PTR
> strips the entire residue.
>
> Please advice how to remove the specific atoms in the restart file and save
> a new top and rest file.
>
> Many Thanks
> Balaji
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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
(801) 585-6208 (Fax)
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Received on Mon Feb 22 2016 - 11:00:04 PST
