Hi,
On Wed, Oct 10, 2012 at 5:55 AM, Sindrila Dutta banik
<sindrila.duttabanik.yahoo.com> wrote:
> radial out test1 test2 test3 .HOH 0.1 10
>From the AmberTools manual, the basic form of the 'radial' command is:
radial <output_filename> <spacing> <maximum> <mask1> [<mask2>]
So your command should probably look something like (assuming your
solvent residues are named WAT, modify appropriately):
radial rdf.dat 0.1 10 :WAT.O :WAT.H1,H2
See the manual for more details and options.
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Wed Oct 10 2012 - 11:00:03 PDT
