[gmx-users] segmentation fault err

shilpa yadahalli shilpa_09honey at yahoo.com
Mon Mar 5 16:58:12 CET 2012

Dear gmx-users,

I'm facing "segmentation fault error" while *mdrun*.
When i checked my md.log file, after 440'th step the kinetic energy energy increases by tenfold and hence the temperature (temp - 6.80141e+01K to 2.21829e+02K). all other values, potential energy etc. are not changing much so i guess this is the cause for fatal error. But I can't figure out the reason behind sudden increase in temperature. 

I'm using following options in my mdp file:

;Temperature coupling
tc-grps = system
tau_t = 1.0 ; Temperature coupling time constant. 
ref_t = 50.0 ; In reduced units
;Pressure coupling
Pcoupl = no
;Velocity generation
gen_vel = yes
gen_temp = 50.0

Can anybody suggest me, if i'm missing something (to take care of)? 

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