Identify the equations into which they are inserted. Apply scaling
parameters to change the units. Learn to check others' work before
investing months of effort ;-)
Mark
On Thu, Apr 18, 2013 at 5:39 PM, 라지브간디 wrote:
> Dear gmx,
>
>
> I m having a confusion of using the literature value of non-
Dear gmx,
I m having a confusion of using the literature value of non-bonded ( charmm
format) to use in gromacs over charmm27.ff ?
For example, the literature reported the Carbon nonbonded as ( sigma =3.83,
epsilon -0.0262 ), whereas the charmm27.ff in gromacs- ffnonbonded value listed
for
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