[gmx-users] pbc

[Christoph Freudenberger]

aswin narain wrote:
> the problem was solved by giving -box 5 5 5 option in
> genbox.
> thanks a lot
> P.S:the final mdrun is the full mdrun without
> constraints.
with or wirhout pressure coupling?
Just increasing the box size in genbox and doing NVT-MD
will give you a wrong density.

regards
-- 
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785