[gmx-users] Drude polarizable simulations

limingru mruli at sina.com
Mon Oct 23 16:16:20 CEST 2017


Dear gmx user,
			 How to carry out Drude polarizable simulations (Drude-2013 force field ) in GMX?  whether it need to modify some parameters in certain force field, if possible, which files need to change? and how to get a itp file of SWM4-NDP? 			Thanks in advance.





More information about the gromacs.org_gmx-users mailing list