[gmx-users] periodic boundary condition

[MGiò]

yes, they are sufficient. if I remember well, the flag -pbc does the
opposite job, it removes periodic boundary conditions. anyway, remember
to include in your mdp file the parameters for the treatment of periodic
bonudary conditions!

regards,

Maria


On 8/21/06, anwar at cdfd.org.in <anwar at cdfd.org.in> wrote:
>
> Dear users,
> I want to apply the periodic boundary condition. So, the following options
> are sufficient or not?
>
> editconf_d -f xxx.gro -o xxx_box.gro -d 1.0 -c
>
> Or do we also have to give the option -pbc????
>
> regards
> Anwar
> ----------------------
> Mohd Anwaruddin
> Project Assistant
> C/o DR.H.A.Nagarajaram
> Lab of Computational Biology and Bioinformatics
> Center for DNA Fingerprinting and Diagnostics(CDFD)
> Nacharam
> Hyderabad-500 076
> INDIA.
> Tel: +91-8413-235467,68,69,70 ext 2019
> anwar.m1 at gmail.com
> -----------------------
>
>
>
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