[gmx-users] QM calculation

[mohammad r]

Hi gromacs users,


 
I want to do QMcalculation to my system. Can the PRODRG sitedo it (according to gromacs tutorial)? Or I should do it by using gromacsitself? By the way I’ve generated the initial coordinate and topology files inamber tools then convert it to gromacs format by using parmed (because theforce field which I want is not included in gromacs).


 
Thank you, Mohammad.