Hi, I’m trying to model a protein with a cyanocobalamin cofactor. I have included CHARMM topology and parameter files using the corresponding .append commands, created a custom residue for the cyanocobalamin in restyp.lib and added atomic radii. Looks like there is a limit on the number of atoms per residue… How can I increase this limit? Here’s the log output: ---- Dynamically allocated memory at amaxparameters [B,KiB,MiB]: 4242516 4143.082 4.046 openf___224_> Open ${LIB}/par.lib read_pa_232_> parameters BONDS ANGLS DIHEDS IMPROPS MODE 227 561 661 112 0 openf___224_> Open top_cyanocob.rtf read_to_238_> Reading CHARMM residue topology file version: 27 1 read_to_223E> Internal error: array too small: MAPRES current maximum, current need: 100 101 ---- Thanks, Alex |