http://lists.gromacs.org/pipermail/gmx-users/2009-July/043186.html
Plus there are several others
http://www.gromacs.org/Support/Mailing_Lists/Search?q=triple+bond
Catch ya,
Dr. Dallas Warren
Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.war...@monash.edu
+61 3 9903 9304
-
When the only tool you own is a hammer, every problem begins to resemble a
nail.
-Original Message-
From: gmx-users-boun...@gromacs.org [mailto:gmx-users-
boun...@gromacs.org] On Behalf Of Tanos Franca
Sent: Wednesday, 8 February 2012 12:25 PM
To: gmx-users@gromacs.org
Subject: [gmx-users] Triple bond
Dear users,
We ve been trying unsucessfully to perform some MD simulations
with
some compounds containing triple bonds using GROMACS. Does someone know
how to properly construct the topologies to this kind of bond for
GROMACS ?
With my best regards,
Tanos C. C. Franca.
--
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