Dear all,

At the moment,I am trying to run the minimization step of the QM/MM and my scripts is attached.
During the run it was terminated giving the following

rogram received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
#0 0x7f3079aa5d3a
#1 0x7f3079aa4ed5
#2 0x7f307976f20f
#3 0x55aabc3e34d7
#4 0x55aabc3cee34
#5 0x55aabc3cd897
#6 0x55aabc3cedfa
#7 0x55aabc3af6cc
#8 0x55aabc1ad65e
#9 0x55aabba36fc5
#10 0x55aabb91664b
#11 0x55aabb94d675
#12 0x55aabb94e5b2
#13 0x55aabb756d52
#14 0x55aabb753b2e
#15 0x7f30797500b2
#16 0x55aabb753b9d
#17 0xffffffffffffffff
Segmentation fault (core dumped)

I am using C44B1 version of charmm.Can anyone help me to get rid of this?

Thanks
VH

Attached Files
step2_minimize.txt (2.57 KB, 44 downloads)
SHA1: 8b3799f307e1f67503dd074fcbd8df3b62e4ea0a