Hi,
On Tue, Jul 16, 2013 at 10:54 AM, Cassandra Churchill
<churchil.ualberta.ca> wrote:
> [hbond out Hbond.dat avgout Avg.dat solvout Solv.dat bridgeout Bridge.dat]
You didn't specify you wanted to track solvent-solute hydrogen bonds
using the solventdonor and/or solventacceptor keywords. Example:
hbond out Hbond.dat avgout Avg.dat solvout Solv.dat bridgeout
Bridge.dat solventdonor :WAT solventacceptor :WAT.O
See the manual for more details.
-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 Tue Jul 16 2013 - 11:00:02 PDT
