Dear amber users,
I am trying to load a pcy file in tleap:
>loadAmberParams myfile.pcy
I get the following errors:
Unknown keyword:
in parameter file. Perhaps a format error?
WARNING: incomplete Improper Torsion line:
CT N* C CM 1 180. 2.
Unknown keyword: CT-N*-CB-C in parameter file. Perhaps a format error?
Unknown keyword: CT-OS-C -C in parameter file. Perhaps a format error?
....(more errors)
These are the offending lines in the file:
IMPROPER
X -X -C -O 10.5 180. 2.
CT-N*-C -CM 1 180. 2.
CT-N*-CB-CK 1 180. 2.
CT-OS-C -CA 1 180. 2.
....
Please, can you help me here? Also, what are the differences between a .pcy
file and, say, a frcmod file?
-Jose
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 10 2013 - 15:00:02 PDT
