Hi,
I am trying to run GIBBS WITHOUT PME. However, the job crashes with
the message 'floating point exception' when I use the default cutoff=9.0.
If I use a smaller cutoff (6.0) it works. I increased the number of
non-bonded pairs in the code. After putting several write statements I
found the code is crashing inside the routine RESNBA in machinedep.f.
I am enclosing the input file with this mail.
Any help will be appreciated.
Pradipta
Attachment Converted: "c:\eudora\attach\gibbs_decoup2.in"
Received on Thu Sep 20 2001 - 11:38:05 PDT
