AMBER Archive (2005)

Subject: AMBER: atom type question

From: opitz_at_che.udel.edu
Date: Mon Jun 13 2005 - 14:41:30 CDT

('binary' encoding is not supported, stored as-is) Dear Amber Community

I'm working with a small molecule binding in a protein. The small
molecule is defined in the gaff atom types, while the protein is defined
by the parm99 parameters.
In this arrangement the minimization crashes saying:
"bad atom type: c3"
Does this mean that the two atom types are not compatible and I just have
to use the atom type definitions from parm99 instead of gaff?

Best Regards,

Armin

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu