Dear gromacs users, I want to calculate the interaction energies of one particular residue with RNA using rerun option. however i indexed the residue with RNA. in my mdp file i have given energy groups as a r_100 RNA. i ended up with an error Fatal error: "21510 atoms are not part of any of the T-Coupling groups". in T-Coupling i have provided r_100_RNA. I guess the error is because of T-Coupling considers the whole protein rather than one residue, because my protein dimer has 21528 atoms. The residue which i am looking has18 atoms. can anyone suggest me how can I rectify this....
Thanks in advance. Vijayakumar Gosu -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
