[gmx-users] PMF and appending simulation: -pf and -px flags (gromacs 4.0.7)

[Justin A. Lemkul]

Shay Teaching wrote:
> Hi everyone,
> 
> Does the appending option also work when doing PMF?
> I have a simulation that crashed in the middle (not-gromacs-related), 
> and now I want to continue from where it stopped.
> But using the -append option does not seem to continue writing to the 
> files specified in -px and -pf.
> 

Appending can be done, but without seeing your actual series of commands, no one 
can offer you any useful advice or insight as to why it isn't working in your case.

-Justin

-- 
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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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