minimization problem

From: Olya Kravchenko (okrav_at_ucdavis.edu)
Date: Thu Mar 18 2004 - 17:32:17 CST

Dear all! I have the following problem:

I'm trying to minimize the structure of part of the molecule that I have
edited by myself into the topology file (heme A type) and thus edit parameter
file for missing bonds and angles (measure them in vmd, then write those into
the parameter file with constants from similar bonds and angles that are
already in parameter file). I get the following error:

FATAL ERROR: UNABLE TO FIND ANGLE PARAMETERS FOR CT2 C CT3
Aborted

But I don't have such an angle in my structure! The atom types that I assigned
to my structure seem to be correct. What can I do to resolve this?

Thank you very much in advance!

Olya

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