Package schrodinger :: Package application :: Package desmond :: Module meta :: Class CVzdist0

Class CVzdist0

CV --+
     |
    CVzdist0

This collective variable reports an absolute Z-distance from the simulation box origin (Z==0). This cv is useful when for membrane penetration studies.

Instance Methods

[hide private]

__init__(self, atomlist, width)

getMExpr(self, model, cvname)

Class Variables

[hide private]

cvzdist0_template = ...

Method Details

[hide private]

init(self, atomlist, width)
(Constructor)

Overrides: CV.__init__

getMExpr(self, model, cvname)

Overrides: CV.getMExpr

Class Variable Details

[hide private]

cvzdist0_template

Value:

"""
# Z-dist definition
%(cvname)s_g0 = center_of_mass ( %(atomlist)s );
%(cvname)s_z  = %(cvname)s_g0[2];
%(cvname)s    = sqrt(%(cvname)s_z^2);
print ("%(cvname)s", %(cvname)s);
# the width for %(cvname)s will be set to: %(width)s
"""

Class CVzdist0

__init__(self, atomlist, width) (Constructor)

getMExpr(self, model, cvname)

cvzdist0_template

init(self, atomlist, width)
(Constructor)