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 [email protected] +61 3 9903 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. > -----Original Message----- > From: [email protected] [mailto:gmx-users- > [email protected]] On Behalf Of Tanos Franca > Sent: Wednesday, 8 February 2012 12:25 PM > To: [email protected] > 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. > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
