On 3/17/16 6:04 PM, Ryan Muraglia wrote:
Dear GROMACS users,
I've been attempting to calculate delta G values for GXG tripeptide
mutations as a test case to validate and benchmark my set up, but I have
run into a host of issues and curiosities, one of which I describe below.
Depending on the
Dear GROMACS users,
I've been attempting to calculate delta G values for GXG tripeptide
mutations as a test case to validate and benchmark my set up, but I have
run into a host of issues and curiosities, one of which I describe below.
Depending on the direction in which I carry out a mutation, a