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:

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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

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Thanks,

Alex