RE: [gmx-users] Fwd: Rycaert-Bellemans function

2013-05-13 Thread Dallas Warren
ers@gromacs.org > Subject: [gmx-users] Fwd: Rycaert-Bellemans function > > Hello to all. I am simulating long-chain alcohols. For the dihedrals, I > used Rycaert-Bellemans function. In this case I should delete the pairs > from topology? > -- > gmx-users mailing

Re: [gmx-users] Fwd: Rycaert-Bellemans function

2013-05-13 Thread Justin Lemkul
On 5/13/13 6:24 PM, Marcelo Vanean wrote: Hello to all. I am simulating long-chain alcohols. For the dihedrals, I used Rycaert-Bellemans function. In this case I should delete the pairs from topology? That depends on which force field you are using. See manual section 4.2.12. -Justin -- =

[gmx-users] Fwd: Rycaert-Bellemans function

2013-05-13 Thread Marcelo Vanean
Hello to all. I am simulating long-chain alcohols. For the dihedrals, I used Rycaert-Bellemans function. In this case I should delete the pairs from topology? -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http