On Thu, Sep 15, 2016, Bilal Nizami wrote:
>
> > Question 2. If in case I have to continue the run , How can I do so?
> >
>
> You can continue run by reading the .rst file of the previous MD run
> . Following is the input for it
>
> *sander*
> * -O -i Data_03.in -o Data_03.out -p rec_solvated.top -c Data_02.rst -r
> Data_03.rst -x Data_03.mdcrd*
>
Note that you should also set irest=1 in the &cntrl namelist: this tells
the program that you are starting from the end of a previous simulation.
....dac
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Received on Fri Sep 16 2016 - 02:30:02 PDT
