Dear Expert, While doing the KALP15 in DPPC tutorial, I came across this error. I have tried google search for solutions but couldn't resolve it. Would appreciate if you would kindly let me know how to move forward: INPUT COMMAND: gmx grompp -f minim_inflategro.mdp -c system_inflated.gro -p topol.top -r system_inflated.gro -o system_inflated_em.tpr
OUTPUT ERROR: ERROR 1 [file dppc.itp, line 7]: Atomtype LC3 not found Full error message: gmx grompp -f minim_inflategro.mdp -c system_inflated.gro -p topol.top -r system_inflated.gro -o system_inflated_em.tpr NOTE 1 [file minim_inflategro.mdp]: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note that with the Verlet scheme, nstlist has no effect on the accuracy of your simulation. Setting the LD random seed to -474520607 Generated 165 of the 1596 non-bonded parameter combinations ERROR 1 [file dppc.itp, line 7]: Atomtype LC3 not found There was 1 note ------------------------------------------------------- Program: gmx grompp, version 2018.4 Source file: src/gromacs/gmxpreprocess/toppush.cpp (line 1390) Fatal error: There was 1 error in input file(s) Thank you - Seke -- 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.
