From: Ahmet Bakan (abakan_at_ku.edu.tr)
Date: Thu Mar 18 2004 - 18:31:09 CST
Hi Olya,
I guess you have generated you structure file using PSFGEN. I can imagine
whay you may get this error. To locate the problem I need to see your
topology and if possible parameter, structure, and coordinate files.
Ahmet
==========ABC==========
Ahmet Bakan
Chemistry, Junior
Koc University
abakan_at_ku.edu.tr
ICQ #86167698
http://home.ku.edu.tr/~abakan
-----Original Message-----
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of Olya Kravchenko
Sent: Friday, March 19, 2004 1:32 AM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: minimization problem
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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