Re: [gmx-users] how to add a electric field to the water box when do a simulation
On 21/12/2010 3:39 AM, Daniel P. Luis J. wrote: I think you would to try 1 10.0 0.0. In the numbers, GROMACS does not determine whether to store an input number as an integer or a float based on the presence of numbers after a decimal point. The range of permissible values determines the data type in which it is stored. Mark On Mon Dec 20th, 2010 3:59 AM PST Carsten Kutzner wrote: On Dec 20, 2010, at 12:09 PM, 松啸天 wrote: dear: I would like to use the electric field inside a box defined by gromacs. So I added E_x 1 10 0in the .mdp file, is it the right approach? Yes, this will add an electric field of strength 10 V/nm acting in x-direction. Carsten i hope people who knows will help me to add the electric field when i do a simulation.that's all.thank you! yours sincerely -- 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 -- 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 add a electric field to the water box when do a simulation
I think you would to try 1 10.0 0.0. In the numbers, On Mon Dec 20th, 2010 3:59 AM PST Carsten Kutzner wrote: >On Dec 20, 2010, at 12:09 PM, 松啸天 wrote: > >> dear: >>I would like to use the electric field inside a box defined by gromacs. >> So I added E_x 1 10 0in the .mdp file, is it the right approach? >Yes, this will add an electric field of strength 10 V/nm acting in x-direction. > >Carsten >> i hope people who knows will help me to add the electric field when i do a >> simulation.that's all.thank you! >> >> yours >>sincerely >> -- >> 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 -- 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 add a electric field to the water box when do a simulation
On Dec 20, 2010, at 12:09 PM, 松啸天 wrote: > dear: >I would like to use the electric field inside a box defined by gromacs. > So I added E_x 1 10 0in the .mdp file, is it the right approach? Yes, this will add an electric field of strength 10 V/nm acting in x-direction. Carsten > i hope people who knows will help me to add the electric field when i do a > simulation.that's all.thank you! > > yours >sincerely > -- > 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
[gmx-users] how to add a electric field to the water box when do a simulation
dear: I would like to use the electric field inside a box defined by gromacs. So I added E_x 1 10 0 in the .mdp file, is it the right approach? i hope people who knows will help me to add the electric field when i do a simulation.that's all.thank you! yours sincerely -- 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
