[gmx-users] How to specify water molecules number added to box?
Dear all, I am new to gromacs. I would like to add water molecules of specific number into my systems. As I found no answer out of the manual, I have to ask you for help. How can I specify water molecules number (like 484 water molecules) added into my system. Does it has anything with -ci and -nmol options of the program genbox? Your reply would be appreciated. Thanks, Zhikun, from USTC -- gmx-users mailing listgmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
Re: [gmx-users] How to specify water molecules number added to box?
On 2013-03-24 09:23, ca...@mail.ustc.edu.cn wrote: Dear all, I am new to gromacs. I would like to add water molecules of specific number into my systems. As I found no answer out of the manual, I have to ask you for help. How can I specify water molecules number (like 484 water molecules) added into my system. Does it has anything with -ci and -nmol options of the program genbox? Your reply would be appreciated. genbox -h try -maxsol Thanks, Zhikun, from USTC -- David van der Spoel, Ph.D., Professor of Biology Dept. of Cell Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. sp...@xray.bmc.uu.sehttp://folding.bmc.uu.se -- gmx-users mailing listgmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
Re: [gmx-users] How to specify water molecules number added to box?
- maxsol Cheers, EB On 24/03/2013, at 7:24 PM, ca...@mail.ustc.edu.cn ca...@mail.ustc.edu.cn wrote: Dear all, I am new to gromacs. I would like to add water molecules of specific number into my systems. As I found no answer out of the manual, I have to ask you for help. How can I specify water molecules number (like 484 water molecules) added into my system. Does it has anything with -ci and -nmol options of the program genbox? Your reply would be appreciated. Thanks, Zhikun, from USTC -- gmx-users mailing listgmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing listgmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
