Hi,
You could also observe the change in e.g. free-energy of solvation of that
ion in that force field upon change in temperature. Or maybe something even
more relevant?
Mark
On Thu, Jul 2, 2015 at 5:29 PM Justin Lemkul jalem...@vt.edu wrote:
On 7/2/15 10:33 AM, soumadwip ghosh wrote:
Hi,
Hi,
I am stuck with one of the reviews of my paper where i have
investigated the thermodynamics of small molecular ion binding to DNA
duplex using CHARMM 27 force field. In order to do so I calculated the PMF
of the binding processes at different temperature ( 300, 270 and 330K) and
then
On 7/2/15 10:33 AM, soumadwip ghosh wrote:
Hi,
I am stuck with one of the reviews of my paper where i have
investigated the thermodynamics of small molecular ion binding to DNA
duplex using CHARMM 27 force field. In order to do so I calculated the PMF
of the binding processes at different
