Re: [gmx-users] Alkanes, Alkens in Amber forcefield

Maria Hamilton wrote: Hi all I need .itp and .mdp files of some Alkanes such as Hepane, Decane and Heptene, Decene in Amber forcefield. Would you please help me? Such species should be trivial to generate using antechamber (with GAFF, perhaps). There are various scripts to convert fro

[gmx-users] Alkanes, Alkens in Amber forcefield

Hi all I need .itp and .mdp files of some Alkanes such as Hepane, Decane and Heptene, Decene in Amber forcefield. Would you please help me? Best Regards Thanks alot Maria -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the