Hi all,
I am using polarziable force fields ff02pol.r1.I want to see in my computation
"how induced dipole moments are changing with respect to time".
Manual suggests that it can be done by using namelist &dipoles,containing the
groups whose dipole printing is needed.
Now my problem is that I am restrainting a other group(whose dipole printing
is not required) also.
Is it possible to define other group just for dipole printing which is not used
for restaint?
Thanks in advance
With regrads,
Hemant Kumar
Graduate Student
CCMT,Department of Physics
IISC,Bangalore
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Received on Mon Jul 06 2009 - 08:52:25 PDT
