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$NEWCAV group (optional)
This group controls generation of the "escaped charge"
cavity, used when ICOMP=3 or IREP=1 in $PCM. This cavity
is used only to calculate the fraction of the solute
electronic charge escapes from the original cavity.
IPTYPE = choice for tessalation of the cavity's spheres.
= 1 uses a tetrahedron
= 2 uses a pentakisdodecahedron (default)
ITSNUM = m, the number of tessera to use on each sphere.
if IPTYPE=1, input m=30*(n**2), with n=1,2,3 or 4
if IPTYPE=2, input m=60*(n**2), with n=1,2,3 or 4
(default is 60)
*** the next three parameters pertain to IREP=1 ***
RHOW = density, relative to liquid water (default = 1.0)
PM = molecular weight (default = 18.0)
NEVAL = number of valence electrons on solute (default=8)
The defaults for RHOW, PM, and NEVAL correspond to water,
and therefore must be correctly input for other solvents.
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generated on 7/7/2017