Dear Users,
I am using amber 14 for pbsa program. When I am trying to run the pbsa with
:
pbsa -O -i pbsa.in -o pbsa.out -p ../dimer-sb-wat.prmtop -c
dimer-SB-run1.rst &
It is showing error:
Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.
Backtrace for this error:
#0 0x2B776A0A34C7
#1 0x2B776A0A3B0E
#2 0x2B776AB3463F
#3 0x2B776A169990
#4 0x2B776A16A4A8
#5 0x2B776A16E2DC
#6 0x4C3139 in rdparm2_
#7 0x40574F in pbsa_
......
segmentation fault. I am using netcdf format of rst file, while my input
for pbsa is :
PBSA calculations input
&cntrl
ntx = 2, imin = 1, maxcyc = 10000,
ipb = 1, inp = 0
/
&pb
npbverb = 1, istrng = 0, epsout = 80.0,
epsin = 1.0, space = 1.0, accept = 0.00,
sprob = 1.4, cutnb = 2, phiout = 1,
phiform = 0
/
Please help me to figure out the problem .Thanks in advance.
Regards
Kshatresh
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Received on Thu Nov 20 2014 - 10:30:03 PST
