Dear all,
I am getting two different errors for two different systems, after
executing the chamber command (exactly the same command from amber
manual), using the input from CHARMM-GUI.
The first error was:
--- Found all ATOM TYPES in topology file
At line 388 of file _psfprm.f
Fortran runtime error: Bad value during floating point read
and the second error was:
XTented file format is being used
At line 2690 of file _psfprm.f (unit = 20, file = 'step5_assembly.psf')
Fortran runtime error: Bad value during integer read
I understand that the second error was due to the psf file format
(according to previous post in amber archive), but i'm using the file
from CHARMM-GUI and not the xplor psf.
I have no idea what is going wrong here, any help or suggestions are welcome.
Thanks and regards,
colvin
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Dec 27 2011 - 23:30:03 PST
