Re: [gmx-users] Implicit solvent model in Gromacs

2012-01-23 Thread lina
On Mon, Jan 23, 2012 at 10:01 AM, Gianluca Interlandi gianl...@u.washington.edu wrote: Dear gromacs users list, I noticed that gromacs can perform simulations with an implicit solvent model using a GBSA method. Is it compatible with the CHARMM22 force field? look for gbsa.itp showed

Re: [gmx-users] Implicit solvent model in Gromacs

2012-01-23 Thread Justin A. Lemkul
lina wrote: On Mon, Jan 23, 2012 at 10:01 AM, Gianluca Interlandi gianl...@u.washington.edu wrote: Dear gromacs users list, I noticed that gromacs can perform simulations with an implicit solvent model using a GBSA method. Is it compatible with the CHARMM22 force field? look for gbsa.itp

Re: [gmx-users] Implicit solvent model in Gromacs

2012-01-23 Thread lina
On Tue, Jan 24, 2012 at 12:08 AM, Justin A. Lemkul jalem...@vt.edu wrote: lina wrote: On Mon, Jan 23, 2012 at 10:01 AM, Gianluca Interlandi gianl...@u.washington.edu wrote: Dear gromacs users list, I noticed that gromacs can perform simulations with an implicit solvent model using a

[gmx-users] Implicit solvent model in Gromacs

2012-01-22 Thread Gianluca Interlandi
Dear gromacs users list, I noticed that gromacs can perform simulations with an implicit solvent model using a GBSA method. Is it compatible with the CHARMM22 force field? Thanks, Gianluca - Gianluca Interlandi, PhD

Re: [gmx-users] Implicit solvent model in Gromacs

2012-01-22 Thread Mark Abraham
On 23/01/2012 1:01 PM, Gianluca Interlandi wrote: Dear gromacs users list, I noticed that gromacs can perform simulations with an implicit solvent model using a GBSA method. Is it compatible with the CHARMM22 force field? Thanks, Gianluca