[gmx-users] question about step 3 of kalp-15 in dppc
roshanak starlight
starlight.r77 at gmail.com
Fri Jul 15 10:56:34 CEST 2016
excuse me i forgot that write subject.
On Fri, Jul 15, 2016 at 1:20 PM, roshanak starlight <starlight.r77 at gmail.com
> wrote:
> hello
> i use kalp-15 in dppc tutorial that there is in this website :
> http://www.bevanlab.biochem.vt.edu
> i have 2 question about step 3 :
> 1.after this command : genrestr -f KALP_newbox.gro -o strong_posre.itp
> -fc 100000 100000 100000 which shoud i choose ? ( i choose 1:protein .
> is it right ?)
> 2.where should i add a line "define = -DSTRONG_POSRES" in minim.mdp ? i
> add it (define = -DSTRONG_POSRES ) to end of my file . is it true?
> thank you
>
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