On Tue, 23 Jan 2018 at 3:59 PM, Мижээ Батсайхан <b.mijidd...@gmail.com> wrote:
> 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. Check for the naming of OT1 in the residue topology database of Dtrp > > 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. > -- *Regards,* *Rahul Suresh* *Research Scholar* *Bharathiar University* *Coimbatore* -- 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.