Dear Amber users,
I have trouble running short minimization steps in sander for the coordinate file I generated using the Xleap. This is the error message :
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
sander 00000000004F94FA Unknown Unknown Unknown
sander 00000000006C3385 Unknown Unknown Unknown
sander 00000000004AAC12 Unknown Unknown Unknown
sander 0000000000498EFC Unknown Unknown Unknown
sander 000000000049431B Unknown Unknown Unknown
sander 000000000040C42C Unknown Unknown Unknown
libc.so.6 000000346EF1C4CB Unknown Unknown Unknown
sander 000000000040C35A Unknown Unknown Unknown
I use the following minimization script
&cntrl
imin=1, maxcyc=100
ntpr=1,
ntr=0,
ntmin=1,
ncyc=50,
&end
END
I did check the archives and tried certain things as suggested but it didn’t help my problem.I would appreciate your input.
Thanks,
Arjun
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Received on Fri Feb 07 2014 - 14:00:03 PST
