[gmx-users] Running a crashed run

[Justin A. Lemkul]

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 : monu46010 at yahoo.com <mailto:monu46010 at yahoo.com>
> 

-- 
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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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