bharat gupta wrote:
Hi,
I am running a crashed run (orgininally for a 3ns simulation) but at the
time of rerunning I forgot to assign -v tag in the command and now I an
not able to know at which step the simulation is going on .. For that I
check the state.cpt file , actually there are two .cpt files one with
state.cpt and other with state_prev.cpt (this one got created while
rerunning the simulation) in one file its showing last frame as 926 and
other file as 924 so I don't know at what step the simulation is going
on (originally I kept for 1500000 steps). Can anybody let me know how to
find out at what time is this simulation going on ??
This simulation picks up from whichever .cpt file you told mdrun to use. If you
want to know where in the simulation you are, use the "tail" command to have a
look at your .log file.
-Justin
--
Bharat
Ph.D. Candidate
Room No. : 7202A, 2nd Floor
Biomolecular Engineering Laboratory
Division of Chemical Engineering and Polymer Science
Pusan National University
Busan -609735
South Korea
Lab phone no. - +82-51-510-3680, +82-51-583-8343
Mobile no. - 010-5818-3680
E-mail : monu46...@yahoo.com <mailto:monu46...@yahoo.com>
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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