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