Thank you for your answer. I modified the L-TRP structure to D-TRP structure, and the last version of charmm36 contains a topology of D-TRP. I used that one.
Thanks. > > Dear gmx user, > > > > I am using gromacs 5.1 with charmm36-march2017 force field. I have an > error > > as following: > > > > "Atom OT1 in residue DTRP 4 was not found in rtp entry DTRP with 24 atoms > > while sorting atoms." > > > > How can I fix this error? > > > > Additionally, I modified the structure of last DTRP residue from the TRP > > residue. I guess that there is no structural problem. > > > > Hi > > If you have modified the structure, then definitely you need to generate a > topology file for that molecule. > Thank you > > -- 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.
