Hi all,

After setting up the patch for adding the sulfamate to the N- glucosamine, I got the folloing error:

CHARMM> patch nhshb S 2 setup
ATOM S AGLCNA 2 S ADDED.
ATOM S AGLCNA 2 O2 ADDED.
ATOM S AGLCNA 2 O7 ADDED.
ATOM S AGLCNA 2 O8 ADDED.

Message from MAPIC: Atom numbers are changed.
*** LEVEL -3 WARNING *** BOMLEV IS -3
BOMLEV HAS BEEN SATISFIED.supposedly TERMINATING.

I cannot explain which atom numbers changed and why. The patch supposedly adds SO3 to the AGLCNA already deacetylated by another patch.

Thank in advance

Tarsis

Attached Images
patch.tar.gz (56.45 KB, 786 downloads)
nhshb.out.txt (7.67 KB, 816 downloads)
NHSSHB.txt (1.47 KB, 861 downloads)