[gmx-users] Re: meaning of the parameters in gbsa.itp

Dear Justin, Thanks again! Will look into it. Btw, you know if there is any plan to implement implicit lipid model in GROMACS? Corina On Fri, Oct 25, 2013 at 12:17 AM, Justin Lemkul [via GROMACS] < ml-node+s5086n5011968...@n6.nabble.com> wrote: > > > On 10/24/13 12:11 PM, Coco Mo wrote: > > Th

[gmx-users] meaning of the parameters in gbsa.itp

Dear Gromacs users, I am interested to do implicit solvent MD but I find that some atoms (atomtype opls_961-965) in my system does not have parameters in the file gbsa.itp. Does anyone know the meaning of these columns in the file and the proper way to derive these values? ; atypesarst