[gmx-users] Type of unit cell

Erik Marklund erikm at xray.bmc.uu.se
Tue Apr 24 09:46:26 CEST 2012

Have a look at this one:

The effect of box shape on the dynamic properties of proteins simulated under periodic boundary conditions Author(s): Wassenaar, TA (Wassenaar, TA); Mark, AE (Mark, AE) Source: JOURNAL OF COMPUTATIONAL CHEMISTRY  Volume: 27   Issue: 3   Pages: 316-325   DOI: 10.1002/jcc.20341   Published: FEB 2006

21 apr 2012 kl. 16.00 skrev Shima Arasteh:

> Dear Gomacs friends,
> I'd like to know if it makes different in the last outcomes of a simulation when I change the box? For example I use dodecahedron instead of cubic one. I just know that I need to add less numbers of water molecules.
> Thanks in advance,
> Shima
> -- 
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Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se

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