Hi.
I have a question about MGB radii parametrization for small organic
molecules parametrizazed with GAFF force field.
I don't know where parameters come for H and O elements (for N, C and P they
are the same as described in Jayaram.1998 and as they appear to be in
amber7/src/leap/src/leap/unitio.c).
Is there any "additional" parametrization or maybe there is a problem with
GAFF atom types in lower-case, as reported in Bugfix 24 for amber 7.
Thanks in advance.
Obdulia Rabal
Received on Tue Jun 03 2003 - 12:53:01 PDT
