Dear all,
I'm sending this email again and hope to get useful feedback... i need a
solution for the problems.
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
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Received on Wed Dec 28 2011 - 17:00:03 PST
