Thanks, I tried to add -maxsol 846 to the command and got the box with 846 water molecules. However, when I use VMD to visualize the box, these molecules concentrate on 1/3 the box space. I do need the molecules to spread out whole box.
Cheers, Cuong 2012/5/1 Justin A. Lemkul <[email protected]> > > > On 4/30/12 10:02 PM, cuong nguyen wrote: > >> Dear Gromacs Users, >> >> I used the command "genbox -cs spc216.gro -o box1.g96 -p topol.top -box 3 >> 3 10" >> to create box of 3010 water molecules. However, now I need to create a >> same size >> box with only 846 water molecules. Please help me to do this. >> >> > Use the -maxsol option when invoking genbox. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> > -- Nguyen Van Cuong PhD student - Curtin University of Technology Mobile: (+61) 452213981
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