On 1/4/17 2:28 AM, suniba shuaib wrote:
Dear Users
I have performed a 200 ns MD simulation of a protein and a small molecule
inhibitor of 30 atoms, using GROMOS 43a1 ff and Gromacs v 5.0. Taking
reference from a number of papers and similar systems, I have used LINCS
algorithm to constrain all
Dear Users
I have performed a 200 ns MD simulation of a protein and a small molecule
inhibitor of 30 atoms, using GROMOS 43a1 ff and Gromacs v 5.0. Taking
reference from a number of papers and similar systems, I have used LINCS
algorithm to constrain all bond lengths.
I have reported interactions