Dear Mark, I used to put ten molecules of hexanol in a box 5 5 1 with the instruction "genbox -ci hexanol.gro -nmol 10 -box 5 5 1 -o layer.gro -p hexanol.top". However, now I want to fill up the box 4 4 4 with hexanol molecules. If I change the number 10 in the instruction to 1000 or 10000, it will run well but I do not know if this box is full. Please help me to change this instruction.
Thanks a lot. Regards, Cuong 2011/10/26 Mark Abraham <mark.abra...@anu.edu.au> > On 26/10/2011 1:46 PM, cuong nguyen wrote: > >> Dear, >> >> Thanks a lot for useful software. I am trying to generate a box (4 4 4) >> with full hexanol molecules inside. I have used the instruction "genbox -ci >> hexanol.GRO -box 4 4 4 -o layer.gro -p hexanol.top", however it has not been >> successful. >> > > Unfortunately we can't help if we don't know what is in your -ci box (also, > it's probably best not to use capitalized filename extensions), or why you > think the procedure was not successful. Please consider the advice here > http://www.gromacs.org/Support**. > > Mark > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > 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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