[gmx-users] Triple bond

[Dallas Warren]

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.warren at 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-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org] On Behalf Of Tanos Franca
> Sent: Wednesday, 8 February 2012 12:25 PM
> To: gmx-users at 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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