[gmx-users] Adding charges to a protein to observe interaction

2013-08-05 Thread chinnu657
Hi, I have a box with 2 proteins in them. I want to add charges to each of the protein so that I can observe how the respective protein interacts with their respective charge cloud. The proteins I'm using are 2CDS.pdb and 1AKI.pdb from the RCSB bank. > >From what I figured, I tried using genion u

Re: [gmx-users] Adding charges to a protein to observe interaction

2013-08-05 Thread Justin Lemkul
On 8/5/13 10:19 AM, chinnu657 wrote: Hi, I have a box with 2 proteins in them. I want to add charges to each of the protein so that I can observe how the respective protein interacts with their respective charge cloud. The proteins I'm using are 2CDS.pdb and 1AKI.pdb from the RCSB bank. F