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 file that I included to
.top file before using grompp.
What should I do to get through this error?
Many thanks
Yuranat,
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php