[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
>


More information about the gromacs.org_gmx-users mailing list