Re: [gmx-users] Query regarding toplogy of Manganese ion in protein

could easily be too large in scope for someone without years of MD experience. Mark --- On *Wed, 24/3/10, Justin A. Lemkul //* wrote: From: Justin A. Lemkul Subject: Re: [gmx-users] Query regarding toplogy of Manganese ion in protein To: "Discussion list for GROMACS

Re: [gmx-users] Query regarding toplogy of Manganese ion in protein

Thanks for your help I hope it will work. Regards -- Sonali Dhindwal --- On Wed, 24/3/10, Justin A. Lemkul wrote: From: Justin A. Lemkul Subject: Re: [gmx-users] Query regarding toplogy of Manganese ion in protein To: "Discussion list for GROMACS users" Date: Wednesday, 24 March,

Re: [gmx-users] Query regarding toplogy of Manganese ion in protein

sonali dhindwal wrote: Hello, I have protein in my protein, for which i want to run MD simulation. Could you please help me to know how to generate topology file for Manganese and which force field to use, as none of the force field in Gromacs supports Mn ion. Parameterization is considere

[gmx-users] Query regarding toplogy of Manganese ion in protein

Hello, I have protein in my protein, for which i want to run MD simulation. Could you please help me to know how to generate topology file for Manganese and which force field to use, as none of the force field in Gromacs supports Mn ion. Please Help Regards -- Sonali Dhindwal The INTER