[gmx-users] Triple bond

Dallas Warren Dallas.Warren at monash.edu
Tue Feb 7 03:20:24 CET 2012


Plus there are several others ....


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
>      With my best regards,
>      Tanos C. C. Franca.
> --
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