Dear all, I am trying to simulate a carbon nano-tube using CHARMM27 forcefield but I can't get it right. I have been following the "modeling carbon nano-tubes with gromacs" (http://chembytes.wikidot.com/grocnt) but it is done using opls-aa forcefield. I have tried in a similar way and I keep getting errors: ----------------------------------------------------------------------------------------------- Opening force field file ./test.ff/ffcharmm.n2t There are 5 name to type translations in file ./test.ff Generating bonds from distances... atom 80 There are 1 different atom types in your sample Generating angles and dihedrals from bonds... Segmentation fault (core dumped) ---------------------------------------------------------------------------------------------------------------------------
If anyone has done the simulation of a CNT using CHARMM27 forcefield then please help. Thank you. Regards, Sanchaita. -- 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.