Hello,
I'm trying to create a new residue (similar to tutorial 4). The
type of error message follows (from 'check RES' in tleap), but I have them
also
for the new atom type I'm defining. The C# and HC# are of type CT and HC so
it should
know about them without me redefining them in the frcmod. When I tried to
define a CT-CT-CT angle for example, I got the error 'Unknown keyword:
CT-CT-CT
in parameter file'.
I load the frcmod file, the lib file, then the pdb file in that order
before I
get these errors. I am sourcing leaprc.ff99 to start with.
What am I doing wrong?
--Julie
WARNING: There is a bond of 26465.000304 angstroms between:
------- .R<ASC 1>.A<C7 11> and .R<ABC 1>.A<HC21 41>
WARNING: There is a bond of 37045.000062 angstroms between:
------- .R<ASC 1>.A<C6 10> and .R<ABC 1>.A<C7 11>
WARNING: There is a bond of 47481.000388 angstroms between:
------- .R<ASC 1>.A<C6 10> and .R<ABC 1>.A<HC22 42>
WARNING: There is a bond of 73219.000110 angstroms between:
------- .R<ASC 1>.A<C6 10> and .R<ABC 1>.A<HC23 43>
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Received on Fri Feb 04 2005 - 23:52:59 PST
