Re: [gmx-users] sulfate ion

2011-04-30 Thread Mark Abraham
On 4/30/2011 3:54 PM, saly jackson wrote: Hi all I want to know about the ability of GROMACS to simulate sulfate in(SO4 (2-)), Do we can have the ion in our simulation using GROMACS? You asked this question on Wednesday, and got an answer. Googling sulfate gromacs finds that answer. If you

[gmx-users] sulfate ion

2011-04-29 Thread saly jackson
Hi all I want to know about the ability of GROMACS to simulate sulfate in(SO4 (2-)), Do we can have the ion in our simulation using GROMACS? Thanks alot Saly -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at

[gmx-users] sulfate ion

2011-04-27 Thread saly jackson
Hi all I want to know about the ability of GROMACS to simulate sulfate in(SO4 (2-)), Do we can have the ion in our simulation using GROMACS? Thanks alot Saly -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at

Re: [gmx-users] sulfate ion

2011-04-27 Thread Justin A. Lemkul
saly jackson wrote: Hi all I want to know about the ability of GROMACS to simulate sulfate in(SO4 (2-)), Do we can have the ion in our simulation using GROMACS? That depends on the force field you want to use. There are parameters for sulfate in all of the Gromos force fields, but I