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 > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists ----------------------------------------------- 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 [email protected] http://www2.icm.uu.se/molbio/elflab/index.html
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
