Dear colleagues,
My system has 1060 residues (8730 atoms). The size of the system increased to >99999 atoms, when I added 10 A water. I am using amber 8 on a linux cluster amd64. When, I try to minimize, using 4 CPUs - I get the following error.
forrtl: severe (174): SIGSEGV, segmentation fault occurred.
My test run, with a smaller system was successful.
My mdin file is :
Minimization with restraints on solute
&cntrl
imin=1, maxcyc=200,
ntpr=5,
ntr=1,
&end
restrained atoms
100.0
RES 1 1060
END
END
I request your suggestion in this regard.
thanks and regards,
Prema.
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Received on Sun Jun 15 2008 - 06:07:41 PDT
