Justin A. Lemkul wrote:
Simone Cirri wrote:
Hi everyone,
I'm trying to set up a MD with the AMBER99 force field of a small
protein in DMSO.
I found suitable parameters for DMSO and AMBER and I built my dmso.itp .
The problem comes now: to solvate my protein, I also need a dmso.gro
solvent b
Simone Cirri wrote:
Hi everyone,
I'm trying to set up a MD with the AMBER99 force field of a small
protein in DMSO.
I found suitable parameters for DMSO and AMBER and I built my dmso.itp .
The problem comes now: to solvate my protein, I also need a dmso.gro
solvent box. I could not find a way
On 3/19/10 1:32 PM, Simone Cirri wrote:
Hi everyone,
I'm trying to set up a MD with the AMBER99 force field of a small
protein in DMSO.
I found suitable parameters for DMSO and AMBER and I built my dmso.itp .
The problem comes now: to solvate my protein, I also need a dmso.gro
solvent box. I cou
Hi everyone,
I'm trying to set up a MD with the AMBER99 force field of a small
protein in DMSO.
I found suitable parameters for DMSO and AMBER and I built my dmso.itp .
The problem comes now: to solvate my protein, I also need a dmso.gro
solvent box. I could not find a way to obtain it, so I searc
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