[gmx-users] The iron-sulfur bond!!

I have some problem about simulating an iron-sulfur bond. I got the following grompp error message "No default G96Bond types" "No default G96Angle types" "No default G96Proper Gih types" What should I do to resolve this problem? Many thanks Yuranat, -- gmx-users mailing listgmx-users@gromac

[gmx-users] Re: gmx-users Digest, Vol 75, Issue 117

ce fields changed and "gromacs force field" you are told to > choose is no longer under "0" as it is deprecated. "0" is ffG43a1, where > this atom type is not present anymore. > > Good luck, > Chris > > 2010/7/22 Yuranat Saikatikorn > >

[gmx-users] The grompp problem!! (Urgently)

I am doing the Drug-enzyme tutorial. I also generated the drg.itp, drg.gro files using PRODRG server. However, when I use the grompp command before the energy minimization I face some error >A fatal error was shown: atom types CR61 not found The atom type CR61 is presented in the drg.itp fi