Hello Justin,
I found that in the virtual sites section of your tutorial, the energy
values of the system large positive . You had warned in the topology file
that the choice of the partial charges used are not guaranteed to work
always with OPLSAA . However, the momentum of inertial values
On 4/19/14, 11:06 AM, sujithkakkat . wrote:
Hello Justin,
I found that in the virtual sites section of your tutorial, the energy
values of the system large positive . You had warned in the topology file
that the choice of the partial charges used are not guaranteed to work
always with
