AMBER Archive (2008)

Subject: AMBER: Sander crashes >99999 atoms

Date: Thu Jun 12 2008 - 18:26:57 CDT

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
 imin=1, maxcyc=200,
restrained atoms
RES 1 1060
I request your suggestion in this regard.
thanks and regards,

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