[gmx-users] pbc, distance between atoms
David van der Spoel
spoel at xray.bmc.uu.se
Fri Jun 3 20:36:02 CEST 2005
On Fri, 3 Jun 2005, ARGYRIOS KARATRANTOS wrote:
>1) Does anyone know with which command I can have pbc in x, y directions but no
>pbc in z directions
you can make the box three times as large (adding vacuum) in the z dir.
>2) I am running a polymer with 50 monomer units in water solution. Is it
>possible to measure the distance of 2 atoms of polymer with respect the time of
>the simulation, which command should I use
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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