Re: ABF colvar error-capped nanotube interaction

From: sakthi kumaran (
Date: Sun Mar 20 2011 - 01:55:30 CDT

Dear al,

           Ok I got the error fixed. But one thing I am not clear about. If
I want to move the left nanotube alone from an initial separation of
10Angstroms to a final separation of 3Angstroms only along z axis what
should I do to the program.The right nanotube is held fixed.
So with this constraint If I want to do the ABF calculation where should I
need to edit the code ....

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