AMBER Archive (2008)

Subject: AMBER: xleap (draw using edit)

From: Taufik Al-Sarraj (taufik.alsarraj_at_utoronto.ca)
Date: Wed May 07 2008 - 21:31:14 CDT

i would like to draw Sulfo-SMCC (Sulfosuccinimidyl
4-[N-maleimidomethyl]cyclohexane-1-carboxylate)

I am using AMBER9, it is easy to create a molecule SMCC and draw it
using edit. but i don't know the atom types (e.g. CT, OS, NC, CB, etc)
where can i get those definitions so i can set the atom types using
-edit-edit selected atoms.

i hope i am on the right track.

I cannot save the molecule without setting the atom type.

Thank you,
Taufik

P.S. i read appendix C in AMBER7 manual it contained more information
that needed, my problem -i think- is smaller, as the the atom types in
SMCC must already exist in the leaprc.ff03 force field

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