[Comm] Nsteps

[Dmitry Kovalsky]

Hi there
Happy new year to everybody

I have setuped calculation with nsteps = 250000
I had 2 crashes (electrecity-related) thus I have 3 runs.
When I check the lastest tpr file 
gmxdump -s eq_3.tpr |grep nstep
nsteps               = 136000

dynamics finished successfully
gmxdump -f eq_3.trr |tail -1|grep step
gives 
natoms=     36601  step=    136000  time=       500  lambda=         0

but in log file I read that the last step was
135000
the frequency of witting log and trr is equal, every 500 steps.

Why?

It there an unique word, phrase, etc written in log file that tells that whole 
job finished successfully.

-- 
Sincerely yours,

Ph.D. Student Dmitry Kovalsky
Institute of Molecular Biology & Genetics
150 Akad. Zabolotnogo Street,
Kiev-143, 03143
UKRAINE

E-mail: dikov на imbg.org.ua
Fax:  +380 (44) 266-0759
Tel.: +380 (44) 266-5589