[gmx-users] pbc

Christoph Freudenberger christoph.freudenberger at chemie.uni-ulm.de
Wed May 28 14:28:00 CEST 2003

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.

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

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